HEADER HYDROLASE 27-JUL-04 1W4P
TITLE BINDING OF NONNATURAL 3'-NUCLEOTIDES TO RIBONUCLEASE A
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PANCREATIC RIBONUCLEASE A;
COMPND 3 CHAIN: A, B;
COMPND 4 SYNONYM: RNASE 1, RNASE A;
COMPND 5 EC: 3.1.27.5;
COMPND 6 OTHER_DETAILS: 2'-DEOXYURIDINE 3'-PHOSPHATE
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS;
SOURCE 3 ORGANISM_COMMON: BOVINE;
SOURCE 4 ORGANISM_TAXID: 9913;
SOURCE 5 ORGAN: PANCREAS
KEYWDS NONNATURAL 3'-NUCLEOTIDES, RNASE A, HYDROLASE, RIBONUCLEASE,
KEYWDS 2 ENDONUCLEASE
EXPDTA X-RAY DIFFRACTION
AUTHOR C.L.JENKINS,N.THIYAGARAJAN,R.Y.SWEENEY,M.P.GUY,B.R.KELEMEN,
AUTHOR 2 K.R.ACHARYA,R.T.RAINES
REVDAT 3 13-DEC-23 1W4P 1 REMARK
REVDAT 2 24-FEB-09 1W4P 1 VERSN
REVDAT 1 02-FEB-05 1W4P 0
JRNL AUTH C.L.JENKINS,N.THIYAGARAJAN,R.Y.SWEENEY,M.P.GUY,B.R.KELEMEN,
JRNL AUTH 2 K.R.ACHARYA,R.T.RAINES
JRNL TITL BINDING OF NON-NATURAL 3'-NUCLEOTIDES TO RIBONUCLEASE A
JRNL REF FEBS J. V. 272 744 2005
JRNL REFN ISSN 1742-464X
JRNL PMID 15670155
JRNL DOI 10.1111/J.1742-4658.2004.04511.X
REMARK 2
REMARK 2 RESOLUTION. 1.69 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.0
REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-
REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,
REMARK 3 : READ,RICE,SIMONSON,WARREN
REMARK 3
REMARK 3 REFINEMENT TARGET : NULL
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.69
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 41.39
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 391863.650
REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 90.8
REMARK 3 NUMBER OF REFLECTIONS : 24768
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING SET) : 0.217
REMARK 3 FREE R VALUE : 0.226
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800
REMARK 3 FREE R VALUE TEST SET COUNT : 1194
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.007
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 6
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.69
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.80
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 97.80
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 4171
REMARK 3 BIN R VALUE (WORKING SET) : 0.2180
REMARK 3 BIN FREE R VALUE : 0.2640
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.90
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 216
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.018
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 1901
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 40
REMARK 3 SOLVENT ATOMS : 290
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : 14.70
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 18.40
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : -1.01000
REMARK 3 B22 (A**2) : 0.79000
REMARK 3 B33 (A**2) : 0.23000
REMARK 3 B12 (A**2) : 0.00000
REMARK 3 B13 (A**2) : 0.00000
REMARK 3 B23 (A**2) : 0.00000
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.21
REMARK 3 ESD FROM SIGMAA (A) : 0.03
REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.22
REMARK 3 ESD FROM C-V SIGMAA (A) : 0.11
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.012
REMARK 3 BOND ANGLES (DEGREES) : 1.600
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.90
REMARK 3 IMPROPER ANGLES (DEGREES) : 1.600
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED : FLAT MODEL
REMARK 3 KSOL : 0.39
REMARK 3 BSOL : 43.74
REMARK 3
REMARK 3 NCS MODEL : NULL
REMARK 3
REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT
REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL
REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL
REMARK 3
REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM
REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM
REMARK 3 PARAMETER FILE 3 : UMP.PARAM
REMARK 3 PARAMETER FILE 4 : ION.PARAM
REMARK 3 PARAMETER FILE 5 : NULL
REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP
REMARK 3 TOPOLOGY FILE 2 : ION.TOP
REMARK 3 TOPOLOGY FILE 3 : WATER_REP.TOP
REMARK 3 TOPOLOGY FILE 4 : UMP.TOP
REMARK 3 TOPOLOGY FILE 5 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1W4P COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 27-JUL-04.
REMARK 100 THE DEPOSITION ID IS D_1290020590.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 25-MAR-04
REMARK 200 TEMPERATURE (KELVIN) : 100.0
REMARK 200 PH : 5.50
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : SRS
REMARK 200 BEAMLINE : PX9.6
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 0.87
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : ADSC CCD
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000
REMARK 200 DATA SCALING SOFTWARE : HKL-2000
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 27984
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.690
REMARK 200 RESOLUTION RANGE LOW (A) : 50.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 91.4
REMARK 200 DATA REDUNDANCY : 3.200
REMARK 200 R MERGE (I) : 0.09000
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 9.4000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.69
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.75
REMARK 200 COMPLETENESS FOR SHELL (%) : 94.2
REMARK 200 DATA REDUNDANCY IN SHELL : 2.80
REMARK 200 R MERGE FOR SHELL (I) : 0.12000
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 8.300
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: AMORE
REMARK 200 STARTING MODEL: PDB ENTRY 1AFU
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 35.75
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.03
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 20MM SODIUM CITRATE BUFFER, PH5.5,
REMARK 280 CONTAINING PEG4000 (25% W/V), PH 5.50
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,Y,-Z
REMARK 290 3555 X+1/2,Y+1/2,Z
REMARK 290 4555 -X+1/2,Y+1/2,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 50.22550
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 16.47100
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 50.22550
REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 16.47100
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1, 2
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC
REMARK 350 SOFTWARE USED: PQS
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 350
REMARK 350 BIOMOLECULE: 2
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC
REMARK 350 SOFTWARE USED: PQS
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 470
REMARK 470 MISSING ATOM
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 470 I=INSERTION CODE):
REMARK 470 M RES CSSEQI ATOMS
REMARK 470 LYS B 41 CB
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 ASP A 14 75.12 -151.58
REMARK 500 ALA A 19 17.75 -149.91
REMARK 500 ALA A 20 -56.93 69.66
REMARK 500 SER A 21 174.44 55.24
REMARK 500 SER A 22 125.20 67.54
REMARK 500 GLN A 60 -141.77 -99.15
REMARK 500 ASN A 71 39.19 -96.18
REMARK 500 ASP B 14 79.13 -151.91
REMARK 500 SER B 16 -122.02 -65.38
REMARK 500 THR B 17 -178.93 -66.51
REMARK 500 ALA B 19 -152.85 -153.26
REMARK 500 GLN B 60 -131.44 -106.27
REMARK 500 ALA B 122 175.69 177.26
REMARK 500
REMARK 500 REMARK: NULL
REMARK 525
REMARK 525 SOLVENT
REMARK 525
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 525 NUMBER; I=INSERTION CODE):
REMARK 525
REMARK 525 M RES CSSEQI
REMARK 525 HOH B2029 DISTANCE = 6.13 ANGSTROMS
REMARK 700
REMARK 700 SHEET
REMARK 700 THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN
REMARK 700 ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW,
REMARK 700 TWO SHEETS ARE DEFINED.
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE UM3 A1125
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE UM3 B1125
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1A2W RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF A 3D DOMAIN-SWAPPED DIMER OF BOVINE PANCREATIC
REMARK 900 RIBONUCLEASE A
REMARK 900 RELATED ID: 1A5P RELATED DB: PDB
REMARK 900 C[40,95]A VARIANT OF BOVINE PANCREATIC RIBONUCLEASE A
REMARK 900 RELATED ID: 1A5Q RELATED DB: PDB
REMARK 900 P93A VARIANT OF BOVINE PANCREATIC RIBONUCLEASE A
REMARK 900 RELATED ID: 1AFK RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF RIBONUCLEASE A IN COMPLEX WITH 5'-
REMARK 900 DIPHOSPHOADENOSINE-3'- PHOSPHATE
REMARK 900 RELATED ID: 1AFL RELATED DB: PDB
REMARK 900 RIBONUCLEASE A IN COMPLEX WITH 5'- DIPHOSPHOADENOSINE 2'-PHOSPHATE
REMARK 900 AT 1.7 ANGSTROM RESOLUTION
REMARK 900 RELATED ID: 1AFU RELATED DB: PDB
REMARK 900 STRUCTURE OF RIBONUCLEASE A AT 2.0 ANGSTROMS FROM MONOCLINIC
REMARK 900 CRYSTALS
REMARK 900 RELATED ID: 1AQP RELATED DB: PDB
REMARK 900 RIBONUCLEASE A COPPER COMPLEX
REMARK 900 RELATED ID: 1B6V RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF A HYBRID BETWEEN RIBONUCLEASE A AND BOVINE
REMARK 900 SEMINAL RIBONUCLEASE
REMARK 900 RELATED ID: 1BEL RELATED DB: PDB
REMARK 900 HYDROLASE PHOSPHORIC DIESTER, RIBONUCLEIC ACID
REMARK 900 RELATED ID: 1BZQ RELATED DB: PDB
REMARK 900 COMPLEX OF A DROMEDARY SINGLE-DOMAIN VHH ANTIBODY FRAGMENT WITH
REMARK 900 RNASE A
REMARK 900 RELATED ID: 1C0B RELATED DB: PDB
REMARK 900 BOVINE PANCREATIC RIBONUCLEASE A DESICCATED FOR 2.5 DAYS
REMARK 900 RELATED ID: 1C0C RELATED DB: PDB
REMARK 900 BOVINE PANCREATIC RIBONUCLEASE A DESICCATED FOR 4.0 DAYS
REMARK 900 RELATED ID: 1C8W RELATED DB: PDB
REMARK 900 THR45GLY VARIANT OF RIBONUCLEASE A
REMARK 900 RELATED ID: 1C9V RELATED DB: PDB
REMARK 900 H12A VARIANT OF RIBONUCLEASE A
REMARK 900 RELATED ID: 1C9X RELATED DB: PDB
REMARK 900 H119A VARIANT OF RIBONUCLEASE A
REMARK 900 RELATED ID: 1CJQ RELATED DB: PDB
REMARK 900 X-RAY CRYSTALLOGRAPHIC STUDIES OF THE DENATURATION OF THE
REMARK 900 DENATURATION OF RIBONUCLEASE S.
REMARK 900 RELATED ID: 1CJR RELATED DB: PDB
REMARK 900 X-RAY CRYSTALLOGRAPHIC STUDIES OF DENATURATION IN RIBONUCLEASE S
REMARK 900 RELATED ID: 1D5D RELATED DB: PDB
REMARK 900 THE ROLE OF PHENYLALANINE 8 IN THE STABILIZATION OF THE SPROTEIN-S
REMARK 900 PEPTIDE INTERACTION: PACKING AND CAVITIES
REMARK 900 RELATED ID: 1D5E RELATED DB: PDB
REMARK 900 THE ROLE OF PHENYLALANINE 8 IN THE STABILIZATION OF THE SPROTEIN-S
REMARK 900 PEPTIDE INTERACTION: PACKING AND CAVITIES
REMARK 900 RELATED ID: 1D5H RELATED DB: PDB
REMARK 900 RNASE S(F8A). MUTANT RIBONUCLEASE S.
REMARK 900 RELATED ID: 1DFJ RELATED DB: PDB
REMARK 900 RIBONUCLEASE INHIBITOR COMPLEXED WITH RIBONUCLEASE A
REMARK 900 RELATED ID: 1DY5 RELATED DB: PDB
REMARK 900 DEAMIDATED DERIVATIVE OF BOVINE PANCREATIC RIBONUCLEASE
REMARK 900 RELATED ID: 1EIC RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF F120A MUTANT OF BOVINE PANCREATICRIBONUCLEASE A
REMARK 900 RELATED ID: 1EID RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF F120G MUTANT OF BOVINE PANCREATICRIBONUCLEASE A
REMARK 900 RELATED ID: 1EIE RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF F120W MUTANT OF BOVINE PANCREATICRIBONUCLEASE A
REMARK 900 RELATED ID: 1EOS RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF RIBONUCLEASE A COMPLEXED WITH URIDYLYL(2', 5')
REMARK 900 GUANOSINE (PRODUCTIVE BINDING)
REMARK 900 RELATED ID: 1EOW RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF RIBONUCLEASE A COMPLEXED WITH URIDYLYL(2', 5')
REMARK 900 GUANOSINE (NON- PRODUCTIVE BINDING)
REMARK 900 RELATED ID: 1F0V RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF AN RNASE A DIMER DISPLAYING A NEW TYPE OF 3D
REMARK 900 DOMAIN SWAPPING
REMARK 900 RELATED ID: 1FEV RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE ALA4AIB MUTATION IN RNASE S
REMARK 900 RELATED ID: 1FS3 RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF WILD-TYPE BOVINE PANCREATICRIBONUCLEASE A
REMARK 900 RELATED ID: 1GV7 RELATED DB: PDB
REMARK 900 GUEST-HOST CROSSTALK IN AN ANGIOGENIN/RNASE A CHIMERIC PROTEIN
REMARK 900 RELATED ID: 1IZP RELATED DB: PDB
REMARK 900 F46L MUTANT OF BOVINE PANCREATIC RIBONUCLEASE A
REMARK 900 RELATED ID: 1IZQ RELATED DB: PDB
REMARK 900 F46V MUTANT OF BOVINE PANCREATIC RIBONUCLEASE A
REMARK 900 RELATED ID: 1IZR RELATED DB: PDB
REMARK 900 F46A MUTANT OF BOVINE PANCREATIC RIBONUCLEASE A
REMARK 900 RELATED ID: 1J7Z RELATED DB: PDB
REMARK 900 OSMOLYTE STABILIZATION OF RIBONUCLEASE
REMARK 900 RELATED ID: 1J80 RELATED DB: PDB
REMARK 900 OSMOLYTE STABILIZATION OF RNASE
REMARK 900 RELATED ID: 1J81 RELATED DB: PDB
REMARK 900 OSMOLYTE STABILIZATION OF RNASE
REMARK 900 RELATED ID: 1J82 RELATED DB: PDB
REMARK 900 OSMOLYTE STABILIZATION OF RNASE
REMARK 900 RELATED ID: 1JN4 RELATED DB: PDB
REMARK 900 THE CRYSTAL STRUCTURE OF RIBONUCLEASE A IN COMPLEX WITH 2'-
REMARK 900 DEOXYURIDINE 3'-PYROPHOSPHATE (P'-5') ADENOSINE
REMARK 900 RELATED ID: 1JS0 RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF 3D DOMAIN-SWAPPED RNASE A MINOR TRIMER
REMARK 900 RELATED ID: 1JVT RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF RIBONUCLEASE A (LIGAND- FREE FORM)
REMARK 900 RELATED ID: 1JVU RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF RIBONUCLEASE A (COMPLEXED FORM)
REMARK 900 RELATED ID: 1JVV RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF RIBONUCLEASE A (RETRO- SOAKED FORM)
REMARK 900 RELATED ID: 1KF2 RELATED DB: PDB
REMARK 900 ATOMIC RESOLUTION STRUCTURE OF RNASE A AT PH 5.2
REMARK 900 RELATED ID: 1KF3 RELATED DB: PDB
REMARK 900 ATOMIC RESOLUTION STRUCTURE OF RNASE A AT PH 5.9
REMARK 900 RELATED ID: 1KF4 RELATED DB: PDB
REMARK 900 ATOMIC RESOLUTION STRUCTURE OF RNASE A AT PH 6.3
REMARK 900 RELATED ID: 1KF5 RELATED DB: PDB
REMARK 900 ATOMIC RESOLUTION STRUCTURE OF RNASE A AT PH 7.1
REMARK 900 RELATED ID: 1KF7 RELATED DB: PDB
REMARK 900 ATOMIC RESOLUTION STRUCTURE OF RNASE A AT PH 8.0
REMARK 900 RELATED ID: 1KF8 RELATED DB: PDB
REMARK 900 ATOMIC RESOLUTION STRUCTURE OF RNASE A AT PH 8.8
REMARK 900 RELATED ID: 1KH8 RELATED DB: PDB
REMARK 900 STRUCTURE OF A CIS-PROLINE (P114) TO GLYCINE VARIANT OFRIBONUCLEASE
REMARK 900 A
REMARK 900 RELATED ID: 1LSQ RELATED DB: PDB
REMARK 900 RIBONUCLEASE A WITH ASN 67 REPLACED BY A BETA-ASPARTYL RESIDUE
REMARK 900 RELATED ID: 1O0F RELATED DB: PDB
REMARK 900 RNASE A IN COMPLEX WITH 3',5'-ADP
REMARK 900 RELATED ID: 1O0H RELATED DB: PDB
REMARK 900 RIBONUCLEASE A IN COMPLEX WITH 5'-ADP
REMARK 900 RELATED ID: 1O0M RELATED DB: PDB
REMARK 900 RIBONUCLEASE A IN COMPLEX WITH URIDINE-2'- PHOSPHATE
REMARK 900 RELATED ID: 1O0N RELATED DB: PDB
REMARK 900 RIBONUCLEASE A IN COMPLEX WITH URIDINE-3'- PHOSPHATE
REMARK 900 RELATED ID: 1O0O RELATED DB: PDB
REMARK 900 RIBONUCLEASE A IN COMPLEX WITH ADENOSINE-2 ',5'-DIPHOSPHATE
REMARK 900 RELATED ID: 1QHC RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF RIBONUCLEASE A IN COMPLEX WITH 5'- PHOSPHO-2'-
REMARK 900 DEOXYURIDINE-3 '-PYROPHOSPHATE ADENOSINE-3'- PHOSPHATE
REMARK 900 RELATED ID: 1RAR RELATED DB: PDB
REMARK 900 RIBONUCLEASE A FLUORESCENT DERIVATIVE [RNASE 1 -124 (AENS-HIS -12)]
REMARK 900 FROM NACL CRYSTAL
REMARK 900 RELATED ID: 1RAS RELATED DB: PDB
REMARK 900 RIBONUCLEASE A FLUORESCENT DERIVATIVE [RNASE 1 -124 (AENS-HIS-12)]
REMARK 900 FROM AMMONIUM SULFATE CRYSTAL
REMARK 900 RELATED ID: 1RAT RELATED DB: PDB
REMARK 900 RIBONUCLEASE A AT 98K
REMARK 900 RELATED ID: 1RBB RELATED DB: PDB
REMARK 900 RIBONUCLEASE B
REMARK 900 RELATED ID: 1RBC RELATED DB: PDB
REMARK 900 RIBONUCLEASE S MUTANT WITH MET 13 REPLACED BY ALA (M13A)
REMARK 900 RELATED ID: 1RBD RELATED DB: PDB
REMARK 900 RIBONUCLEASE S MUTANT WITH MET 13 REPLACED BY ALPHA-AMINO-NORMAL-
REMARK 900 BUTYRIC ACID (M13ABA)
REMARK 900 RELATED ID: 1RBE RELATED DB: PDB
REMARK 900 RIBONUCLEASE S MUTANT WITH MET 13 REPLACED BY PHE (M13F)
REMARK 900 RELATED ID: 1RBF RELATED DB: PDB
REMARK 900 RIBONUCLEASE S MUTANT WITH MET 13 REPLACED BY GLY (M13G)
REMARK 900 RELATED ID: 1RBG RELATED DB: PDB
REMARK 900 RIBONUCLEASE S MUTANT WITH MET 13 REPLACED BY ILE (M13I)
REMARK 900 RELATED ID: 1RBH RELATED DB: PDB
REMARK 900 RIBONUCLEASE S MUTANT WITH MET 13 REPLACED BY LEU (M13L)
REMARK 900 RELATED ID: 1RBI RELATED DB: PDB
REMARK 900 RIBONUCLEASE S MUTANT WITH MET 13 REPLACED BY VAL (M13V)
REMARK 900 RELATED ID: 1RBJ RELATED DB: PDB
REMARK 900 RIBONUCLEASE B COMPLEX WITH D(TETRA-(DEOXY- ADENYLATE))
REMARK 900 RELATED ID: 1RBN RELATED DB: PDB
REMARK 900 RIBONUCLEASE A DERIVATIVE II COMPLEXED WITH 6-CHLOROPURINE RIBOSIDE
REMARK 900 5'-MONOPHOSPHATE
REMARK 900 RELATED ID: 1RBW RELATED DB: PDB
REMARK 900 RIBONUCLEASE A WITH GUANIDINIUM
REMARK 900 RELATED ID: 1RBX RELATED DB: PDB
REMARK 900 RIBONUCLEASE A CONTROL
REMARK 900 RELATED ID: 1RCA RELATED DB: PDB
REMARK 900 MOL_ID: 1; MOLECULE: RIBONUCLEASE A; CHAIN: NULL; SYNONYM: RNASE A;
REMARK 900 EC: 3.1.27.5; HETEROGEN: DEOXYCYTIDYLYL-3',5'-GUANOSINE (3 ',5'-
REMARK 900 DCPDG); OTHER_DETAILS: CO-CRYSTALLIZED COMPLEX
REMARK 900 RELATED ID: 1RCN RELATED DB: PDB
REMARK 900 RIBONUCLEASE A COMPLEXED WITH DEOXYRIBONUCLEIC ACID (5'-D(APTPAPAP)-
REMARK 900 3')
REMARK 900 RELATED ID: 1RHA RELATED DB: PDB
REMARK 900 RIBONUCLEASE A (LOW HUMIDITY FORM: RELATIVE HUMIDITY 79 %)
REMARK 900 RELATED ID: 1RHB RELATED DB: PDB
REMARK 900 RIBONUCLEASE A (LOW HUMIDITY FORM: RELATIVE HUMIDITY 88 %)
REMARK 900 RELATED ID: 1RNC RELATED DB: PDB
REMARK 900 RIBONUCLEASE A COMPLEX WITH CYTIDYLYL-2',5 '-GUANOSINE (2',5'-CPG)
REMARK 900 RELATED ID: 1RND RELATED DB: PDB
REMARK 900 RIBONUCLEASE A COMPLEX WITH DEOXYCYTIDYLYL-3 ',5'-GUANOSINE (3',5'-
REMARK 900 DCPDG)
REMARK 900 RELATED ID: 1RNM RELATED DB: PDB
REMARK 900 RIBONUCLEASE A COMPLEX WITH CYTIDYLIC ACID ( 5'CMP) CRYSTALLIZED
REMARK 900 FROM 80% AMMONIUM SULPHATE
REMARK 900 RELATED ID: 1RNN RELATED DB: PDB
REMARK 900 RIBONUCLEASE A COMPLEX WITH CYTIDYLIC ACID ( 5'CMP) CRYSTALLIZED
REMARK 900 FROM 8M SODIUM FORMATE
REMARK 900 RELATED ID: 1RNO RELATED DB: PDB
REMARK 900 RIBONUCLEASE A CRYSTALLIZED FROM 80% AMMONIUM SULPHATE
REMARK 900 RELATED ID: 1RNQ RELATED DB: PDB
REMARK 900 RIBONUCLEASE A CRYSTALLIZED FROM 8M SODIUM FORMATE
REMARK 900 RELATED ID: 1RNU RELATED DB: PDB
REMARK 900 RIBONUCLEASE S (PH 5.5)
REMARK 900 RELATED ID: 1RNV RELATED DB: PDB
REMARK 900 RIBONUCLEASE S (PH 4.75)
REMARK 900 RELATED ID: 1RNW RELATED DB: PDB
REMARK 900 RECOMBINANT RIBONUCLEASE A CRYSTALLIZED FROM 80% AMMONIUM SULPHATE
REMARK 900 RELATED ID: 1RNX RELATED DB: PDB
REMARK 900 RIBONUCLEASE A CRYSTALLIZED FROM 3M SODIUM CHLORIDE, 30% AMMONIUM
REMARK 900 SULFATE
REMARK 900 RELATED ID: 1RNY RELATED DB: PDB
REMARK 900 RIBONUCLEASE A CRYSTALLIZED FROM 3M CESIUM CHLORIDE, 30% AMMONIUM
REMARK 900 SULFATE
REMARK 900 RELATED ID: 1RNZ RELATED DB: PDB
REMARK 900 RIBONUCLEASE A CRYSTALLIZED FROM 2.5M SODIUM CHLORIDE, 3.3M SODIUM
REMARK 900 FORMATE
REMARK 900 RELATED ID: 1ROB RELATED DB: PDB
REMARK 900 RIBONUCLEASE A COMPLEXED WITH CYTIDYLIC ACID
REMARK 900 RELATED ID: 1RPF RELATED DB: PDB
REMARK 900 RIBONUCLEASE A COMPLEXED WITH CYTIDINE-3'- MONOPHOSPHATE (RNASE A/3'
REMARK 900 -CMP)
REMARK 900 RELATED ID: 1RPG RELATED DB: PDB
REMARK 900 RIBONUCLEASE A COMPLEXED WITH DEOXYCYTIDYL-3 ',5'-DEOXYADENOSINE
REMARK 900 (RNASE A/D(CPA)
REMARK 900 RELATED ID: 1RPH RELATED DB: PDB
REMARK 900 RIBONUCLEASE A
REMARK 900 RELATED ID: 1RSM RELATED DB: PDB
REMARK 900 LYS-7-(DINITROPHENYLENE)-LYS-41 CROSS-LINKED RIBONUCLEASE A
REMARK 900 RELATED ID: 1RTA RELATED DB: PDB
REMARK 900 RIBONUCLEASE A COMPLEX WITH THYMIDYLIC ACID TETRAMER
REMARK 900 RELATED ID: 1RTB RELATED DB: PDB
REMARK 900 RIBONUCLEASE A (RNASE A)
REMARK 900 RELATED ID: 1RUV RELATED DB: PDB
REMARK 900 RIBONUCLEASE A-URIDINE VANADATE COMPLEX: HIGH RESOLUTION RESOLUTION
REMARK 900 X-RAY STRUCTURE (1.3 A)
REMARK 900 RELATED ID: 1SRN RELATED DB: PDB
REMARK 900 SEMISYNTHETIC RIBONUCLEASE A (RNASE 1-118( COLON)111-124)
REMARK 900 RELATED ID: 1SSA RELATED DB: PDB
REMARK 900 RIBONUCLEASE A (RESIDUES 1 - 118) COMPLEXED WITH SYNTHETIC
REMARK 900 RIBONUCLEASE A (RESIDUES 111 - 124, PHE 120 REPLACED BY LEU (F120L))
REMARK 900 RELATED ID: 1SSB RELATED DB: PDB
REMARK 900 RIBONUCLEASE A (RESIDUES 1 - 118) COMPLEXED WITH SYNTHETIC
REMARK 900 RIBONUCLEASE A (RESIDUES 111 - 124, PHE 120 REPLACED BY TYR (F120Y))
REMARK 900 RELATED ID: 1SSC RELATED DB: PDB
REMARK 900 RIBONUCLEASE A (SEMISYNTHETIC) CRYSTALLIZED FROM AQUEOUS ETHANOL
REMARK 900 [RNASE 1-118:111-124]
REMARK 900 RELATED ID: 1UN5 RELATED DB: PDB
REMARK 900 ARH-II, AN ANGIOGENIN/RNASE A CHIMERA
REMARK 900 RELATED ID: 1W4O RELATED DB: PDB
REMARK 900 BINDING OF NONNATURAL 3'-NUCLEOTIDES TO RIBONUCLEASE A
REMARK 900 RELATED ID: 1W4Q RELATED DB: PDB
REMARK 900 BINDING OF NONNATURAL 3'-NUCLEOTIDES TO RIBONUCLEASE A
REMARK 900 RELATED ID: 1XPS RELATED DB: PDB
REMARK 900 BOVINE RIBONUCLEASE A (PHOSPHATE-FREE) (93 % HUMIDITY)
REMARK 900 RELATED ID: 1XPT RELATED DB: PDB
REMARK 900 BOVINE RIBONUCLEASE A (PHOSPHATE-FREE)
REMARK 900 RELATED ID: 2AAS RELATED DB: PDB
REMARK 900 RIBONUCLEASE A (NMR, 32 STRUCTURES)
REMARK 900 RELATED ID: 2RAT RELATED DB: PDB
REMARK 900 RIBONUCLEASE A AT 130K
REMARK 900 RELATED ID: 2RLN RELATED DB: PDB
REMARK 900 RIBONUCLEASE S MUTANT WITH MET S 13 REPLACED BY NORLEUCINE (M(S 13)
REMARK 900 NLE)
REMARK 900 RELATED ID: 2RNS RELATED DB: PDB
REMARK 900 RIBONUCLEASE S (PH 4.75)
REMARK 900 RELATED ID: 3RAT RELATED DB: PDB
REMARK 900 RIBONUCLEASE A AT 160K
REMARK 900 RELATED ID: 3RN3 RELATED DB: PDB
REMARK 900 RIBONUCLEASE A
REMARK 900 RELATED ID: 3RSD RELATED DB: PDB
REMARK 900 STRUCTURE OF THE D121N VARIANT OF RIBONUCLEASE A
REMARK 900 RELATED ID: 3RSK RELATED DB: PDB
REMARK 900 STRUCTURE OF THE K7A/R10A/K66A VARIANT OF RIBONUCLEASE A
REMARK 900 RELATED ID: 3RSP RELATED DB: PDB
REMARK 900 STRUCTURE OF THE P93G VARIANT OF RIBONUCLEASE A
REMARK 900 RELATED ID: 3SRN RELATED DB: PDB
REMARK 900 SEMISYNTHETIC RIBONUCLEASE A MUTANT WITH ASP 121 REPLACED BY ASN
REMARK 900 (D121N) (RNASE 1-118: 111-124 (D121N))
REMARK 900 RELATED ID: 4RAT RELATED DB: PDB
REMARK 900 RIBONUCLEASE A AT 180K
REMARK 900 RELATED ID: 4RSD RELATED DB: PDB
REMARK 900 STRUCTURE OF THE D121A VARIANT OF RIBONUCLEASE A
REMARK 900 RELATED ID: 4RSK RELATED DB: PDB
REMARK 900 STRUCTURE OF THE K7A/R10A/K66A VARIANT OF RIBONUCLEASE A COMPLEXED
REMARK 900 WITH 3'-UMP
REMARK 900 RELATED ID: 4SRN RELATED DB: PDB
REMARK 900 SEMISYNTHETIC RIBONUCLEASE A MUTANT WITH ASP 121 REPLACED BY ALA
REMARK 900 (D121A) (RNASE 1-118: 111-124 (D121A))
REMARK 900 RELATED ID: 5RAT RELATED DB: PDB
REMARK 900 RIBONUCLEASE A AT 220K
REMARK 900 RELATED ID: 5RSA RELATED DB: PDB
REMARK 900 RIBONUCLEASE A (JOINT NEUTRON AND X-RAY)
REMARK 900 RELATED ID: 6RAT RELATED DB: PDB
REMARK 900 RIBONUCLEASE A AT 240K
REMARK 900 RELATED ID: 6RSA RELATED DB: PDB
REMARK 900 RIBONUCLEASE A COMPLEX WITH URIDINE VANADATE (JOINT NEUTRON AND X-
REMARK 900 RAY)
REMARK 900 RELATED ID: 7RAT RELATED DB: PDB
REMARK 900 RIBONUCLEASE A AT 260K
REMARK 900 RELATED ID: 7RSA RELATED DB: PDB
REMARK 900 RIBONUCLEASE A (PHOSPHATE-FREE)
REMARK 900 RELATED ID: 8RAT RELATED DB: PDB
REMARK 900 RIBONUCLEASE A AT 300K
REMARK 900 RELATED ID: 8RSA RELATED DB: PDB
REMARK 900 RIBONUCLEASE A (PHOSPHATE-FREE) COMPLEX WITH NE2.12-N-ACETYL
REMARK 900 DEOXYTHYMIDINE
REMARK 900 RELATED ID: 9RAT RELATED DB: PDB
REMARK 900 RIBONUCLEASE A AT 320K
REMARK 900 RELATED ID: 9RSA RELATED DB: PDB
REMARK 900 RIBONUCLEASE A (PHOSPHATE-FREE) COMPLEX WITH ND1.119-N-ACETYL
REMARK 900 DEOXYURIDINE
DBREF 1W4P A 1 124 UNP P61823 RNP_BOVIN 27 150
DBREF 1W4P B 1 124 UNP P61823 RNP_BOVIN 27 150
SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET
SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS
SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG
SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA
SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS
SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR
SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS
SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS
SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO
SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL
SEQRES 1 B 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET
SEQRES 2 B 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS
SEQRES 3 B 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG
SEQRES 4 B 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA
SEQRES 5 B 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS
SEQRES 6 B 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR
SEQRES 7 B 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS
SEQRES 8 B 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS
SEQRES 9 B 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO
SEQRES 10 B 124 VAL HIS PHE ASP ALA SER VAL
HET UM3 A1125 20
HET UM3 B1125 20
HETNAM UM3 2'-DEOXYURIDINE 3'-MONOPHOSPHATE
FORMUL 3 UM3 2(C9 H13 N2 O8 P)
FORMUL 5 HOH *290(H2 O)
HELIX 1 1 THR A 3 MET A 13 1 11
HELIX 2 2 ASN A 24 ARG A 33 1 10
HELIX 3 3 SER A 50 ALA A 56 1 7
HELIX 4 4 VAL A 57 GLN A 60 5 4
HELIX 5 5 THR B 3 MET B 13 1 11
HELIX 6 6 ASN B 24 ARG B 33 1 10
HELIX 7 7 SER B 50 ALA B 56 1 7
HELIX 8 8 VAL B 57 GLN B 60 5 4
SHEET 1 AA 5 VAL A 43 VAL A 47 0
SHEET 2 AA 5 MET A 79 GLU A 86 -1 O THR A 82 N PHE A 46
SHEET 3 AA 5 TYR A 97 GLU A 111 -1 O LYS A 98 N ARG A 85
SHEET 4 AA 5 CYS A 72 GLN A 74 -1 O TYR A 73 N VAL A 108
SHEET 5 AA 5 LYS A 61 VAL A 63 -1 O LYS A 61 N GLN A 74
SHEET 1 AB 4 VAL A 43 VAL A 47 0
SHEET 2 AB 4 MET A 79 GLU A 86 -1 O THR A 82 N PHE A 46
SHEET 3 AB 4 TYR A 97 GLU A 111 -1 O LYS A 98 N ARG A 85
SHEET 4 AB 4 VAL A 116 VAL A 124 -1 O VAL A 116 N GLU A 111
SHEET 1 BA 5 VAL B 43 VAL B 47 0
SHEET 2 BA 5 MET B 79 GLU B 86 -1 O THR B 82 N PHE B 46
SHEET 3 BA 5 TYR B 97 GLU B 111 -1 O LYS B 98 N ARG B 85
SHEET 4 BA 5 CYS B 72 GLN B 74 -1 O TYR B 73 N VAL B 108
SHEET 5 BA 5 LYS B 61 VAL B 63 -1 O LYS B 61 N GLN B 74
SHEET 1 BB 4 VAL B 43 VAL B 47 0
SHEET 2 BB 4 MET B 79 GLU B 86 -1 O THR B 82 N PHE B 46
SHEET 3 BB 4 TYR B 97 GLU B 111 -1 O LYS B 98 N ARG B 85
SHEET 4 BB 4 VAL B 116 VAL B 124 -1 O VAL B 116 N GLU B 111
SSBOND 1 CYS A 26 CYS A 84 1555 1555 2.03
SSBOND 2 CYS A 40 CYS A 95 1555 1555 2.03
SSBOND 3 CYS A 58 CYS A 110 1555 1555 2.03
SSBOND 4 CYS A 65 CYS A 72 1555 1555 2.03
SSBOND 5 CYS B 26 CYS B 84 1555 1555 2.03
SSBOND 6 CYS B 40 CYS B 95 1555 1555 2.03
SSBOND 7 CYS B 58 CYS B 110 1555 1555 2.03
SSBOND 8 CYS B 65 CYS B 72 1555 1555 2.03
CISPEP 1 TYR A 92 PRO A 93 0 0.25
CISPEP 2 ASN A 113 PRO A 114 0 0.40
CISPEP 3 TYR B 92 PRO B 93 0 0.05
CISPEP 4 ASN B 113 PRO B 114 0 0.08
SITE 1 AC1 12 GLN A 11 HIS A 12 LYS A 41 VAL A 43
SITE 2 AC1 12 ASN A 44 THR A 45 HIS A 119 PHE A 120
SITE 3 AC1 12 HOH A2023 HOH A2065 HOH A2136 HOH A2141
SITE 1 AC2 12 GLN B 11 HIS B 12 LYS B 41 ASN B 44
SITE 2 AC2 12 THR B 45 LYS B 66 HIS B 119 PHE B 120
SITE 3 AC2 12 HOH B2117 HOH B2145 HOH B2148 HOH B2149
CRYST1 100.451 32.942 73.094 90.00 90.02 90.00 C 1 2 1 8
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 0.009955 0.000000 0.000003 0.00000
SCALE2 0.000000 0.030356 0.000000 0.00000
SCALE3 0.000000 0.000000 0.013681 0.00000
(ATOM LINES ARE NOT SHOWN.)
END
