HEADER EPIDERMAL GROWTH FACTOR 24-MAR-92 1EPG
TITLE THREE-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE STRUCTURES OF MOUSE
TITLE 2 EPIDERMAL GROWTH FACTOR IN ACIDIC AND PHYSIOLOGICAL PH SOLUTIONS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: EPIDERMAL GROWTH FACTOR;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE;
SOURCE 4 ORGANISM_TAXID: 10090
KEYWDS EPIDERMAL GROWTH FACTOR
EXPDTA SOLUTION NMR
AUTHOR D.KOHDA,F.INAGAKI
REVDAT 3 29-NOV-17 1EPG 1 REMARK HELIX
REVDAT 2 24-FEB-09 1EPG 1 VERSN
REVDAT 1 31-JAN-94 1EPG 0
JRNL AUTH D.KOHDA,F.INAGAKI
JRNL TITL THREE-DIMENSIONAL NUCLEAR MAGNETIC RESONANCE STRUCTURES OF
JRNL TITL 2 MOUSE EPIDERMAL GROWTH FACTOR IN ACIDIC AND PHYSIOLOGICAL PH
JRNL TITL 3 SOLUTIONS.
JRNL REF BIOCHEMISTRY V. 31 11928 1992
JRNL REFN ISSN 0006-2960
JRNL PMID 1445923
JRNL DOI 10.1021/BI00162A036
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH D.KOHDA,F.INAGAKI
REMARK 1 TITL STRUCTURE OF EPIDERMAL GROWTH FACTOR BOUND TO PERDEUTERATED
REMARK 1 TITL 2 DODECYLPHOSPHOCHOLINE MICELLES DETERMINED BY TWO-DIMENSIONAL
REMARK 1 TITL 3 NMR AND SIMULATED ANNEALING CALCULATIONS
REMARK 1 REF BIOCHEMISTRY V. 31 677 1992
REMARK 1 REFN ISSN 0006-2960
REMARK 1 REFERENCE 2
REMARK 1 AUTH D.KOHDA,T.SAWADA,F.INAGAKI
REMARK 1 TITL CHARACTERIZATION OF PH TITRATION SHIFTS FOR ALL THE
REMARK 1 TITL 2 NONLABILE PROTON RESONANCES IN A PROTEIN BY TWO-DIMENSIONAL
REMARK 1 TITL 3 NMR: THE CASE OF MOUSE EPIDERMAL GROWTH FACTOR
REMARK 1 REF BIOCHEMISTRY V. 30 4896 1991
REMARK 1 REFN ISSN 0006-2960
REMARK 1 REFERENCE 3
REMARK 1 AUTH D.KOHDA,N.GO,K.HAYASHI,F.INAGAKI
REMARK 1 TITL TERTIARY STRUCTURE OF MOUSE EPIDERMAL GROWTH FACTOR
REMARK 1 TITL 2 DETERMINED BY TWO-DIMENSIONAL 1H NMR
REMARK 1 REF J.BIOCHEM.(TOKYO) V. 103 741 1988
REMARK 1 REFN ISSN 0021-924X
REMARK 1 REFERENCE 4
REMARK 1 AUTH D.KOHDA,C.KODAMA,R.KASE,H.NOMOTO,K.HAYASHI,F.INAGAKI
REMARK 1 TITL A COMPARATIVE 1H NMR STUDY OF MOUSE ALPHA(1-53) AND
REMARK 1 TITL 2 BETA(2-53) EPIDERMAL GROWTH FACTORS
REMARK 1 REF BIOCHEM.INT. V. 16 647 1988
REMARK 1 REFN ISSN 0158-5231
REMARK 1 REFERENCE 5
REMARK 1 AUTH D.KOHDA,F.INAGAKI
REMARK 1 TITL COMPLETE SEQUENCE-SPECIFIC 1H NUCLEAR MAGNETIC RESONANCE
REMARK 1 TITL 2 ASSIGNMENTS FOR MOUSE EPIDERMAL GROWTH FACTOR
REMARK 1 REF J.BIOCHEM.(TOKYO) V. 103 554 1988
REMARK 1 REFN ISSN 0021-924X
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1EPG COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000173112.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: NULL
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
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 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 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 HIS A 22 CG HIS A 22 ND1 -0.105
REMARK 500 TRP A 50 CG TRP A 50 CD2 -0.103
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 TRP A 49 CD1 - NE1 - CE2 ANGL. DEV. = 5.8 DEGREES
REMARK 500 TRP A 49 NE1 - CE2 - CZ2 ANGL. DEV. = 7.4 DEGREES
REMARK 500 TRP A 50 CG - CD1 - NE1 ANGL. DEV. = -7.0 DEGREES
REMARK 500 TRP A 50 CD1 - NE1 - CE2 ANGL. DEV. = 6.3 DEGREES
REMARK 500 TRP A 50 NE1 - CE2 - CZ2 ANGL. DEV. = 7.3 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
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 SER A 2 -8.77 71.42
REMARK 500 TYR A 3 95.42 41.98
REMARK 500 PRO A 7 123.07 -37.81
REMARK 500 SER A 9 -19.33 -47.04
REMARK 500 TYR A 10 -76.55 -84.78
REMARK 500 ASP A 11 29.97 30.29
REMARK 500 ASN A 16 101.92 34.93
REMARK 500 SER A 25 -80.78 -44.57
REMARK 500 ASP A 27 17.76 50.56
REMARK 500 SER A 28 -167.34 -75.46
REMARK 500 CYS A 33 -146.93 -64.11
REMARK 500 VAL A 34 -163.20 -162.21
REMARK 500 ILE A 35 54.26 -68.05
REMARK 500 SER A 38 -160.53 -161.20
REMARK 500 ASP A 40 -93.42 -46.50
REMARK 500 CYS A 42 32.61 -171.93
REMARK 500 THR A 44 79.10 -103.57
REMARK 500 LEU A 47 73.03 -62.54
REMARK 500 ARG A 48 -93.67 -147.20
REMARK 500 TRP A 49 -88.09 -32.63
REMARK 500 TRP A 50 -18.25 -44.73
REMARK 500 GLU A 51 -90.45 47.81
REMARK 500 LEU A 52 127.18 172.61
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 TYR A 37 0.09 SIDE CHAIN
REMARK 500 ARG A 41 0.32 SIDE CHAIN
REMARK 500 ARG A 48 0.31 SIDE CHAIN
REMARK 500 ARG A 53 0.21 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1EPH RELATED DB: PDB
DBREF 1EPG A 1 53 UNP P01132 EGF_MOUSE 977 1029
SEQRES 1 A 53 ASN SER TYR PRO GLY CYS PRO SER SER TYR ASP GLY TYR
SEQRES 2 A 53 CYS LEU ASN GLY GLY VAL CYS MET HIS ILE GLU SER LEU
SEQRES 3 A 53 ASP SER TYR THR CYS ASN CYS VAL ILE GLY TYR SER GLY
SEQRES 4 A 53 ASP ARG CYS GLN THR ARG ASP LEU ARG TRP TRP GLU LEU
SEQRES 5 A 53 ARG
SHEET 1 SAB 3 SER A 2 PRO A 4 0
SHEET 2 SAB 3 VAL A 19 ILE A 23 -1 O HIS A 22 N TYR A 3
SHEET 3 SAB 3 SER A 28 ASN A 32 -1 O THR A 30 N MET A 21
SHEET 1 SC 2 TYR A 37 SER A 38 0
SHEET 2 SC 2 THR A 44 ARG A 45 -1 O THR A 44 N SER A 38
SSBOND 1 CYS A 6 CYS A 20 1555 1555 2.02
SSBOND 2 CYS A 14 CYS A 31 1555 1555 2.02
SSBOND 3 CYS A 33 CYS A 42 1555 1555 2.02
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
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 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
(ATOM LINES ARE NOT SHOWN.)
END
