HEADER UNKNOWN FUNCTION 05-DEC-14 2MX0
TITLE SOLUTION STRUCTURE OF HP0268 FROM HELICOBACTER PYLORI
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN HP_0268;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI 26695;
SOURCE 3 ORGANISM_COMMON: CAMPYLOBACTER PYLORI;
SOURCE 4 ORGANISM_TAXID: 85962;
SOURCE 5 GENE: HP_0268;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET28A
KEYWDS SMR DOMAIN-LIKE, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR K.Y.LEE
REVDAT 2 14-JUN-23 2MX0 1 DBREF SEQADV
REVDAT 1 09-DEC-15 2MX0 0
JRNL AUTH K.Y.LEE,K.Y.LEE,J.H.KIM,I.G.LEE,S.H.LEE,D.W.SIM,H.S.WON,
JRNL AUTH 2 B.J.LEE
JRNL TITL STRUCTURE-BASED FUNCTIONAL IDENTIFICATION OF HELICOBACTER
JRNL TITL 2 PYLORI HP0268 AS A NUCLEASE WITH BOTH DNA NICKING AND RNASE
JRNL TITL 3 ACTIVITIES
JRNL REF NUCLEIC ACIDS RES. V. 43 5194 2015
JRNL REFN ISSN 0305-1048
JRNL PMID 25916841
JRNL DOI 10.1093/NAR/GKV348
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CYANA
REMARK 3 AUTHORS : GUNTERT, MUMENTHALER AND WUTHRICH
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2MX0 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 09-DEC-14.
REMARK 100 THE DEPOSITION ID IS D_1000104149.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 50
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.8-1 MM [U-99% 13C; U-99% 15N]
REMARK 210 SODIUM PHOSPHATE-1, 50 MM SODIUM
REMARK 210 CHLORIDE-2, 90% H2O/10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC; 3D HNCO; 3D
REMARK 210 HNCACB; 3D HBHA(CO)NH; 3D
REMARK 210 CBCA(CO)NH; 3D C(CO)NH; 3D HCCH-
REMARK 210 TOCSY; 2D 1H-1H NOESY; 3D 1H-15N
REMARK 210 NOESY; 3D 1H-13C NOESY; 3D HN(CA)
REMARK 210 CO
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : CYANA
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 200
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
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: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 HG3 ARG A 33 H SER A 34 1.32
REMARK 500
REMARK 500 REMARK: NULL
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 1 GLU A 30 CD GLU A 30 OE1 -0.066
REMARK 500 1 ARG A 33 CZ ARG A 33 NH1 -0.183
REMARK 500 3 GLU A 27 CD GLU A 27 OE2 -0.102
REMARK 500 4 ASP A 15 CG ASP A 15 OD2 0.163
REMARK 500 4 GLU A 20 CD GLU A 20 OE2 -0.078
REMARK 500 4 GLU A 22 CD GLU A 22 OE1 -0.175
REMARK 500 4 ASP A 31 CG ASP A 31 OD1 0.143
REMARK 500 4 ARG A 33 CZ ARG A 33 NH1 -0.202
REMARK 500 4 ASP A 46 CG ASP A 46 OD1 -0.257
REMARK 500 4 ASP A 46 CG ASP A 46 OD2 0.226
REMARK 500 4 ASP A 64 CG ASP A 64 OD1 0.204
REMARK 500 4 ASP A 64 CG ASP A 64 OD2 -0.144
REMARK 500 4 ASP A 71 CG ASP A 71 OD2 0.169
REMARK 500 6 ILE A 82 C ILE A 82 O 0.128
REMARK 500 7 ARG A 67 C ARG A 67 O -0.126
REMARK 500 9 ASP A 15 CG ASP A 15 OD2 -0.151
REMARK 500 9 GLU A 20 CD GLU A 20 OE1 -0.105
REMARK 500 9 GLU A 20 CD GLU A 20 OE2 0.102
REMARK 500 9 GLU A 22 CD GLU A 22 OE1 0.132
REMARK 500 9 GLU A 22 CD GLU A 22 OE2 -0.116
REMARK 500 11 ASP A 15 CG ASP A 15 OD1 -0.226
REMARK 500 11 ASP A 15 CG ASP A 15 OD2 0.233
REMARK 500 11 GLU A 20 CD GLU A 20 OE1 -0.187
REMARK 500 11 GLU A 20 CD GLU A 20 OE2 0.084
REMARK 500 11 ASP A 23 CG ASP A 23 OD1 -0.247
REMARK 500 11 ASP A 23 CG ASP A 23 OD2 0.256
REMARK 500 11 TYR A 25 CZ TYR A 25 OH -0.196
REMARK 500 11 ASP A 31 CG ASP A 31 OD1 0.227
REMARK 500 11 ASP A 31 CG ASP A 31 OD2 -0.238
REMARK 500 11 ASP A 46 CG ASP A 46 OD1 -0.262
REMARK 500 11 ASP A 46 CG ASP A 46 OD2 0.219
REMARK 500 11 ASP A 52 CG ASP A 52 OD1 -0.252
REMARK 500 11 ASP A 52 CG ASP A 52 OD2 0.261
REMARK 500 11 ASP A 64 CG ASP A 64 OD1 -0.178
REMARK 500 11 ASP A 64 CG ASP A 64 OD2 0.173
REMARK 500 11 ASP A 71 CG ASP A 71 OD1 -0.297
REMARK 500 11 ASP A 71 CG ASP A 71 OD2 0.234
REMARK 500 11 ASP A 74 CG ASP A 74 OD1 0.261
REMARK 500 11 ASP A 74 CG ASP A 74 OD2 -0.259
REMARK 500 11 GLU A 78 CD GLU A 78 OE1 -0.168
REMARK 500 11 GLU A 78 CD GLU A 78 OE2 0.086
REMARK 500 11 ILE A 82 C ILE A 82 O 0.203
REMARK 500 11 ILE A 82 C ILE A 82 OXT -0.150
REMARK 500 12 PRO A 40 CD PRO A 40 N 0.175
REMARK 500 13 GLU A 20 CD GLU A 20 OE1 -0.099
REMARK 500 13 GLU A 22 CD GLU A 22 OE2 -0.110
REMARK 500 13 PHE A 54 CG PHE A 54 CD1 -0.103
REMARK 500 13 ARG A 67 CZ ARG A 67 NH1 -0.103
REMARK 500 13 GLU A 72 CD GLU A 72 OE1 -0.077
REMARK 500 14 GLU A 20 C GLU A 20 O -0.124
REMARK 500
REMARK 500 THIS ENTRY HAS 72 BOND DEVIATIONS.
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 1 ASP A 15 CB - CG - OD2 ANGL. DEV. = 6.9 DEGREES
REMARK 500 1 ARG A 33 NE - CZ - NH2 ANGL. DEV. = 4.2 DEGREES
REMARK 500 1 ASP A 46 CB - CG - OD1 ANGL. DEV. = -8.1 DEGREES
REMARK 500 2 ASP A 64 CB - CG - OD1 ANGL. DEV. = 6.7 DEGREES
REMARK 500 4 ASP A 15 CB - CG - OD1 ANGL. DEV. = 10.7 DEGREES
REMARK 500 4 ASP A 15 CB - CG - OD2 ANGL. DEV. = -7.2 DEGREES
REMARK 500 4 ASP A 23 CA - CB - CG ANGL. DEV. = -15.0 DEGREES
REMARK 500 4 ASP A 23 CB - CG - OD1 ANGL. DEV. = 11.9 DEGREES
REMARK 500 4 ASP A 31 CB - CG - OD2 ANGL. DEV. = 6.3 DEGREES
REMARK 500 4 ASP A 46 CB - CG - OD1 ANGL. DEV. = 12.9 DEGREES
REMARK 500 4 ASP A 46 CB - CG - OD2 ANGL. DEV. = -8.9 DEGREES
REMARK 500 4 ASP A 64 CB - CG - OD1 ANGL. DEV. = -7.0 DEGREES
REMARK 500 4 ASP A 64 CB - CG - OD2 ANGL. DEV. = 8.3 DEGREES
REMARK 500 4 ASP A 71 CB - CG - OD1 ANGL. DEV. = 11.5 DEGREES
REMARK 500 4 ASP A 71 CB - CG - OD2 ANGL. DEV. = -8.3 DEGREES
REMARK 500 4 ASP A 74 CB - CG - OD1 ANGL. DEV. = 12.2 DEGREES
REMARK 500 4 ASP A 74 CB - CG - OD2 ANGL. DEV. = -15.7 DEGREES
REMARK 500 5 PHE A 54 CG - CD2 - CE2 ANGL. DEV. = 6.8 DEGREES
REMARK 500 5 ASP A 74 CB - CG - OD1 ANGL. DEV. = -5.8 DEGREES
REMARK 500 6 SER A 14 CA - C - N ANGL. DEV. = 15.2 DEGREES
REMARK 500 6 ASP A 23 CB - CG - OD1 ANGL. DEV. = -9.1 DEGREES
REMARK 500 6 ASP A 31 CB - CG - OD1 ANGL. DEV. = 8.8 DEGREES
REMARK 500 6 ASP A 31 CB - CG - OD2 ANGL. DEV. = -6.2 DEGREES
REMARK 500 6 ARG A 33 NE - CZ - NH2 ANGL. DEV. = -3.8 DEGREES
REMARK 500 6 ASP A 52 CB - CG - OD1 ANGL. DEV. = 8.6 DEGREES
REMARK 500 6 PHE A 54 CG - CD2 - CE2 ANGL. DEV. = 7.9 DEGREES
REMARK 500 6 GLU A 65 OE1 - CD - OE2 ANGL. DEV. = -8.0 DEGREES
REMARK 500 6 ARG A 67 NE - CZ - NH1 ANGL. DEV. = -3.1 DEGREES
REMARK 500 6 ARG A 67 NE - CZ - NH2 ANGL. DEV. = 3.4 DEGREES
REMARK 500 7 ASP A 15 OD1 - CG - OD2 ANGL. DEV. = 11.6 DEGREES
REMARK 500 7 ASP A 15 CB - CG - OD2 ANGL. DEV. = -11.8 DEGREES
REMARK 500 7 ASP A 23 CB - CG - OD2 ANGL. DEV. = -6.3 DEGREES
REMARK 500 7 ASP A 31 CB - CG - OD2 ANGL. DEV. = -7.2 DEGREES
REMARK 500 7 ARG A 33 NE - CZ - NH1 ANGL. DEV. = -3.4 DEGREES
REMARK 500 7 ASP A 46 CB - CG - OD1 ANGL. DEV. = -7.5 DEGREES
REMARK 500 7 ASP A 71 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 7 ASP A 74 CB - CG - OD2 ANGL. DEV. = -7.3 DEGREES
REMARK 500 8 ARG A 33 NE - CZ - NH2 ANGL. DEV. = -3.8 DEGREES
REMARK 500 9 ASP A 15 CB - CG - OD1 ANGL. DEV. = -6.6 DEGREES
REMARK 500 9 ASP A 15 CB - CG - OD2 ANGL. DEV. = 9.2 DEGREES
REMARK 500 9 TYR A 25 CD1 - CE1 - CZ ANGL. DEV. = -5.9 DEGREES
REMARK 500 9 TYR A 25 CE1 - CZ - CE2 ANGL. DEV. = 12.8 DEGREES
REMARK 500 9 TYR A 25 CZ - CE2 - CD2 ANGL. DEV. = -7.3 DEGREES
REMARK 500 9 ASP A 46 CB - CG - OD2 ANGL. DEV. = 7.0 DEGREES
REMARK 500 10 ASP A 15 CB - CG - OD2 ANGL. DEV. = -9.8 DEGREES
REMARK 500 11 ASP A 15 CB - CG - OD1 ANGL. DEV. = 14.7 DEGREES
REMARK 500 11 ASP A 15 CB - CG - OD2 ANGL. DEV. = -10.1 DEGREES
REMARK 500 11 ASP A 23 CB - CG - OD1 ANGL. DEV. = 15.2 DEGREES
REMARK 500 11 ASP A 23 CB - CG - OD2 ANGL. DEV. = -14.6 DEGREES
REMARK 500 11 ASP A 31 CB - CG - OD1 ANGL. DEV. = -8.2 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 132 ANGLE DEVIATIONS.
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 1 MET A 3 59.34 -158.61
REMARK 500 1 ARG A 33 -178.66 -170.07
REMARK 500 1 THR A 60 -149.25 -77.87
REMARK 500 2 SER A 14 -67.41 -103.22
REMARK 500 2 ILE A 81 -45.43 45.65
REMARK 500 3 ASP A 15 6.29 -152.18
REMARK 500 3 GLU A 72 -42.37 -131.52
REMARK 500 3 ILE A 81 82.45 20.21
REMARK 500 4 LYS A 13 84.64 -11.30
REMARK 500 4 ILE A 81 -60.68 59.95
REMARK 500 5 LYS A 13 107.56 4.75
REMARK 500 5 SER A 14 -71.68 -90.87
REMARK 500 5 ASP A 15 7.95 -151.04
REMARK 500 6 LYS A 13 -43.28 54.55
REMARK 500 6 SER A 18 29.23 -145.05
REMARK 500 7 SER A 14 -71.28 -87.89
REMARK 500 7 ASP A 15 5.51 -152.09
REMARK 500 7 ILE A 81 66.26 29.01
REMARK 500 8 ASP A 15 7.47 -164.35
REMARK 500 8 ARG A 33 -179.78 -172.26
REMARK 500 8 SER A 69 47.96 -76.31
REMARK 500 8 ILE A 81 -32.55 57.89
REMARK 500 9 ASP A 15 17.15 -152.56
REMARK 500 9 THR A 60 -140.78 -110.45
REMARK 500 9 ALA A 61 -66.27 -132.12
REMARK 500 10 SER A 14 -77.53 -93.00
REMARK 500 10 ASP A 15 19.46 -154.55
REMARK 500 10 GLU A 72 -35.14 -131.35
REMARK 500 10 ILE A 81 98.16 0.55
REMARK 500 11 MET A 3 -58.66 -132.45
REMARK 500 11 ASP A 15 -9.61 -149.53
REMARK 500 11 ILE A 81 66.46 26.54
REMARK 500 12 SER A 14 78.08 -117.20
REMARK 500 12 PRO A 40 144.98 -39.57
REMARK 500 12 THR A 60 -127.79 -111.64
REMARK 500 12 ALA A 61 -49.99 -154.78
REMARK 500 12 ILE A 81 -45.91 59.45
REMARK 500 13 ASP A 15 -10.52 -146.64
REMARK 500 13 HIS A 44 -39.24 67.90
REMARK 500 13 ARG A 67 57.35 -92.03
REMARK 500 13 GLU A 72 -53.46 -120.84
REMARK 500 15 SER A 14 -65.15 -103.84
REMARK 500 15 ASP A 15 27.80 -169.44
REMARK 500 15 HIS A 44 -14.24 73.20
REMARK 500 15 ARG A 67 52.32 -98.76
REMARK 500 15 ILE A 81 61.90 32.62
REMARK 500 16 LYS A 13 105.95 -2.99
REMARK 500 16 SER A 14 -62.66 -102.37
REMARK 500 16 ILE A 81 -48.89 77.38
REMARK 500 17 MET A 3 -60.63 -131.30
REMARK 500
REMARK 500 THIS ENTRY HAS 65 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS
REMARK 500
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH
REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED
REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.
REMARK 500 MODEL OMEGA
REMARK 500 HIS A 2 MET A 3 1 148.00
REMARK 500 ASP A 15 ALA A 16 1 -139.97
REMARK 500 LYS A 32 ARG A 33 1 -135.20
REMARK 500 ALA A 39 PRO A 40 1 -121.20
REMARK 500 HIS A 59 THR A 60 1 -135.83
REMARK 500 THR A 60 ALA A 61 1 119.70
REMARK 500 GLU A 65 VAL A 66 1 145.24
REMARK 500 ARG A 67 VAL A 68 1 131.24
REMARK 500 ASP A 74 PHE A 75 1 -134.67
REMARK 500 ASP A 15 ALA A 16 2 -142.28
REMARK 500 LYS A 32 ARG A 33 2 -140.73
REMARK 500 ALA A 39 PRO A 40 2 -129.76
REMARK 500 ARG A 67 VAL A 68 2 147.45
REMARK 500 LYS A 32 ARG A 33 3 -142.89
REMARK 500 ALA A 39 PRO A 40 3 -118.63
REMARK 500 GLY A 58 HIS A 59 3 -147.44
REMARK 500 ARG A 67 VAL A 68 3 139.68
REMARK 500 ARG A 12 LYS A 13 4 -133.87
REMARK 500 LYS A 13 SER A 14 4 149.48
REMARK 500 ASP A 15 ALA A 16 4 -134.22
REMARK 500 LYS A 32 ARG A 33 4 -144.18
REMARK 500 ALA A 39 PRO A 40 4 -129.15
REMARK 500 GLU A 65 VAL A 66 4 147.50
REMARK 500 LYS A 73 ASP A 74 4 148.41
REMARK 500 ARG A 12 LYS A 13 5 -143.58
REMARK 500 LYS A 13 SER A 14 5 129.10
REMARK 500 ASP A 15 ALA A 16 5 -146.75
REMARK 500 LYS A 17 SER A 18 5 138.40
REMARK 500 LYS A 32 ARG A 33 5 -137.09
REMARK 500 ALA A 39 PRO A 40 5 -122.56
REMARK 500 ARG A 67 VAL A 68 5 119.15
REMARK 500 ASP A 74 PHE A 75 5 -140.39
REMARK 500 ALA A 16 LYS A 17 6 -149.82
REMARK 500 LYS A 32 ARG A 33 6 -134.52
REMARK 500 ILE A 35 PHE A 36 6 148.52
REMARK 500 ALA A 39 PRO A 40 6 -124.00
REMARK 500 ARG A 67 VAL A 68 6 128.91
REMARK 500 ASP A 15 ALA A 16 7 -139.96
REMARK 500 LYS A 17 SER A 18 7 139.05
REMARK 500 LYS A 32 ARG A 33 7 -136.15
REMARK 500 ALA A 39 PRO A 40 7 -130.57
REMARK 500 ARG A 67 VAL A 68 7 114.05
REMARK 500 LYS A 9 ASN A 10 8 -148.48
REMARK 500 LYS A 32 ARG A 33 8 -131.79
REMARK 500 ALA A 39 PRO A 40 8 -129.36
REMARK 500 GLU A 65 VAL A 66 8 142.88
REMARK 500 VAL A 68 SER A 69 8 140.06
REMARK 500 SER A 69 THR A 70 8 132.29
REMARK 500 LYS A 32 ARG A 33 9 -146.74
REMARK 500 ILE A 35 PHE A 36 9 148.82
REMARK 500
REMARK 500 THIS ENTRY HAS 135 NON CIS, NON-TRANS OMEGA OUTLIERS.
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 1 GLU A 30 0.08 SIDE CHAIN
REMARK 500 2 PHE A 36 0.11 SIDE CHAIN
REMARK 500 2 PHE A 54 0.07 SIDE CHAIN
REMARK 500 3 PHE A 54 0.08 SIDE CHAIN
REMARK 500 7 TYR A 25 0.09 SIDE CHAIN
REMARK 500 9 PHE A 54 0.06 SIDE CHAIN
REMARK 500 13 TYR A 25 0.07 SIDE CHAIN
REMARK 500 16 PHE A 54 0.08 SIDE CHAIN
REMARK 500 16 TYR A 62 0.07 SIDE CHAIN
REMARK 500 17 TYR A 62 0.08 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 25380 RELATED DB: BMRB
DBREF 2MX0 A 3 82 UNP O25047 O25047_HELPY 1 80
SEQADV 2MX0 SER A 1 UNP O25047 EXPRESSION TAG
SEQADV 2MX0 HIS A 2 UNP O25047 EXPRESSION TAG
SEQRES 1 A 82 SER HIS MET LYS LEU VAL LEU ALA LYS ASN THR ARG LYS
SEQRES 2 A 82 SER ASP ALA LYS SER VAL GLU LEU GLU ASP LEU TYR HIS
SEQRES 3 A 82 GLU PHE SER GLU ASP LYS ARG SER ILE PHE TYR PHE ALA
SEQRES 4 A 82 PRO THR ASN ALA HIS LYS ASP MET LEU LYS ALA VAL ASP
SEQRES 5 A 82 PHE PHE LYS GLU LYS GLY HIS THR ALA TYR LEU ASP GLU
SEQRES 6 A 82 VAL ARG VAL SER THR ASP GLU LYS ASP PHE LEU TYR GLU
SEQRES 7 A 82 LEU HIS ILE ILE
HELIX 1 1 SER A 18 ASP A 31 1 14
HELIX 2 2 HIS A 44 LYS A 57 1 14
SHEET 1 A 4 LEU A 5 LEU A 7 0
SHEET 2 A 4 ARG A 33 PHE A 38 1 O PHE A 38 N VAL A 6
SHEET 3 A 4 PHE A 75 HIS A 80 -1 O GLU A 78 N ILE A 35
SHEET 4 A 4 ALA A 61 GLU A 65 -1 N ASP A 64 O TYR A 77
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
MODEL 1
(ATOM LINES ARE NOT SHOWN.)
END
