HEADER ADAPTOR PROTEIN CONTAINING SH2 AND SH3 13-JUN-94 1GFD
TITLE SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE C-
TITLE 2 TERMINAL SH3 DOMAIN OF GRB2
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: GRB2
KEYWDS ADAPTOR PROTEIN CONTAINING SH2 AND SH3
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR D.KOHDA,H.TERASAWA,H.HATANAKA,F.INAGAKI
REVDAT 2 24-FEB-09 1GFD 1 VERSN
REVDAT 1 31-AUG-94 1GFD 0
JRNL AUTH D.KOHDA,H.TERASAWA,S.ICHIKAWA,K.OGURA,H.HATANAKA,
JRNL AUTH 2 V.MANDIYAN,A.ULLRICH,J.SCHLESSINGER,F.INAGAKI
JRNL TITL SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE
JRNL TITL 2 CARBOXY-TERMINAL SH3 DOMAIN OF GRB2.
JRNL REF STRUCTURE V. 2 1029 1994
JRNL REFN ISSN 0969-2126
JRNL PMID 7881903
JRNL DOI 10.1016/S0969-2126(94)00106-5
REMARK 1
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 1GFD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
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 : 20
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 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 HIS A 28 CG HIS A 28 ND1 -0.099
REMARK 500 1 TRP A 38 CG TRP A 38 CD2 -0.112
REMARK 500 1 HIS A 43 CG HIS A 43 ND1 -0.102
REMARK 500 2 HIS A 28 CG HIS A 28 ND1 -0.099
REMARK 500 2 TRP A 37 CG TRP A 37 CD2 -0.103
REMARK 500 2 TRP A 38 CG TRP A 38 CD2 -0.110
REMARK 500 2 HIS A 43 CG HIS A 43 ND1 -0.102
REMARK 500 3 HIS A 28 CG HIS A 28 ND1 -0.102
REMARK 500 3 TRP A 37 CG TRP A 37 CD2 -0.103
REMARK 500 3 TRP A 38 CG TRP A 38 CD2 -0.113
REMARK 500 3 HIS A 43 CG HIS A 43 ND1 -0.100
REMARK 500 4 HIS A 28 CG HIS A 28 ND1 -0.101
REMARK 500 4 TRP A 38 CG TRP A 38 CD2 -0.109
REMARK 500 4 HIS A 43 CG HIS A 43 ND1 -0.102
REMARK 500 5 HIS A 28 CG HIS A 28 ND1 -0.100
REMARK 500 5 TRP A 37 CG TRP A 37 CD2 -0.102
REMARK 500 5 TRP A 38 CG TRP A 38 CD2 -0.115
REMARK 500 5 HIS A 43 CG HIS A 43 ND1 -0.102
REMARK 500 6 HIS A 28 CG HIS A 28 ND1 -0.101
REMARK 500 6 TRP A 37 CG TRP A 37 CD2 -0.102
REMARK 500 6 TRP A 38 CG TRP A 38 CD2 -0.113
REMARK 500 6 HIS A 43 CG HIS A 43 ND1 -0.101
REMARK 500 7 HIS A 28 CG HIS A 28 ND1 -0.099
REMARK 500 7 TRP A 38 CG TRP A 38 CD2 -0.110
REMARK 500 7 HIS A 43 CG HIS A 43 ND1 -0.100
REMARK 500 8 HIS A 28 CG HIS A 28 ND1 -0.100
REMARK 500 8 TRP A 38 CG TRP A 38 CD2 -0.112
REMARK 500 8 HIS A 43 CG HIS A 43 ND1 -0.103
REMARK 500 9 HIS A 28 CG HIS A 28 ND1 -0.097
REMARK 500 9 TRP A 37 CG TRP A 37 CD2 -0.104
REMARK 500 9 TRP A 38 CG TRP A 38 CD2 -0.109
REMARK 500 9 HIS A 43 CG HIS A 43 ND1 -0.102
REMARK 500 10 HIS A 28 CG HIS A 28 ND1 -0.099
REMARK 500 10 TRP A 37 CG TRP A 37 CD2 -0.103
REMARK 500 10 TRP A 38 CG TRP A 38 CD2 -0.115
REMARK 500 10 HIS A 43 CG HIS A 43 ND1 -0.100
REMARK 500 11 HIS A 28 CG HIS A 28 ND1 -0.101
REMARK 500 11 TRP A 38 CG TRP A 38 CD2 -0.109
REMARK 500 11 HIS A 43 CG HIS A 43 ND1 -0.100
REMARK 500 12 HIS A 28 CG HIS A 28 ND1 -0.101
REMARK 500 12 TRP A 38 CG TRP A 38 CD2 -0.116
REMARK 500 12 HIS A 43 CG HIS A 43 ND1 -0.100
REMARK 500 13 HIS A 28 CG HIS A 28 ND1 -0.100
REMARK 500 13 TRP A 38 CG TRP A 38 CD2 -0.112
REMARK 500 13 HIS A 43 CG HIS A 43 ND1 -0.101
REMARK 500 14 HIS A 28 CG HIS A 28 ND1 -0.098
REMARK 500 14 TRP A 38 CG TRP A 38 CD2 -0.114
REMARK 500 14 HIS A 43 CG HIS A 43 ND1 -0.101
REMARK 500 15 HIS A 28 CG HIS A 28 ND1 -0.102
REMARK 500 15 TRP A 38 CG TRP A 38 CD2 -0.108
REMARK 500
REMARK 500 THIS ENTRY HAS 70 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 TRP A 37 CG - CD1 - NE1 ANGL. DEV. = -6.3 DEGREES
REMARK 500 1 TRP A 37 CD1 - NE1 - CE2 ANGL. DEV. = 6.0 DEGREES
REMARK 500 1 TRP A 37 NE1 - CE2 - CZ2 ANGL. DEV. = 8.3 DEGREES
REMARK 500 1 TRP A 37 NE1 - CE2 - CD2 ANGL. DEV. = -6.3 DEGREES
REMARK 500 1 TRP A 38 CG - CD1 - NE1 ANGL. DEV. = -6.9 DEGREES
REMARK 500 1 TRP A 38 CD1 - NE1 - CE2 ANGL. DEV. = 6.3 DEGREES
REMARK 500 1 TRP A 38 NE1 - CE2 - CZ2 ANGL. DEV. = 9.8 DEGREES
REMARK 500 1 TRP A 38 NE1 - CE2 - CD2 ANGL. DEV. = -6.8 DEGREES
REMARK 500 1 TRP A 38 CG - CD2 - CE3 ANGL. DEV. = -7.0 DEGREES
REMARK 500 2 TRP A 37 CG - CD1 - NE1 ANGL. DEV. = -6.3 DEGREES
REMARK 500 2 TRP A 37 CD1 - NE1 - CE2 ANGL. DEV. = 6.0 DEGREES
REMARK 500 2 TRP A 37 NE1 - CE2 - CZ2 ANGL. DEV. = 8.2 DEGREES
REMARK 500 2 TRP A 37 NE1 - CE2 - CD2 ANGL. DEV. = -6.3 DEGREES
REMARK 500 2 TRP A 38 CG - CD1 - NE1 ANGL. DEV. = -6.8 DEGREES
REMARK 500 2 TRP A 38 CD1 - NE1 - CE2 ANGL. DEV. = 6.2 DEGREES
REMARK 500 2 TRP A 38 NE1 - CE2 - CZ2 ANGL. DEV. = 9.1 DEGREES
REMARK 500 2 TRP A 38 NE1 - CE2 - CD2 ANGL. DEV. = -6.5 DEGREES
REMARK 500 2 TRP A 38 CG - CD2 - CE3 ANGL. DEV. = -6.0 DEGREES
REMARK 500 3 TRP A 37 CG - CD1 - NE1 ANGL. DEV. = -6.4 DEGREES
REMARK 500 3 TRP A 37 CD1 - NE1 - CE2 ANGL. DEV. = 6.0 DEGREES
REMARK 500 3 TRP A 37 NE1 - CE2 - CZ2 ANGL. DEV. = 8.5 DEGREES
REMARK 500 3 TRP A 37 NE1 - CE2 - CD2 ANGL. DEV. = -6.4 DEGREES
REMARK 500 3 TRP A 38 CG - CD1 - NE1 ANGL. DEV. = -7.4 DEGREES
REMARK 500 3 TRP A 38 CD1 - NE1 - CE2 ANGL. DEV. = 6.5 DEGREES
REMARK 500 3 TRP A 38 NE1 - CE2 - CZ2 ANGL. DEV. = 9.7 DEGREES
REMARK 500 3 TRP A 38 NE1 - CE2 - CD2 ANGL. DEV. = -6.8 DEGREES
REMARK 500 3 TRP A 38 CG - CD2 - CE3 ANGL. DEV. = -7.0 DEGREES
REMARK 500 4 TRP A 37 CG - CD1 - NE1 ANGL. DEV. = -6.4 DEGREES
REMARK 500 4 TRP A 37 CD1 - NE1 - CE2 ANGL. DEV. = 6.1 DEGREES
REMARK 500 4 TRP A 37 NE1 - CE2 - CZ2 ANGL. DEV. = 8.2 DEGREES
REMARK 500 4 TRP A 37 NE1 - CE2 - CD2 ANGL. DEV. = -6.2 DEGREES
REMARK 500 4 TRP A 38 CG - CD1 - NE1 ANGL. DEV. = -6.9 DEGREES
REMARK 500 4 TRP A 38 CD1 - NE1 - CE2 ANGL. DEV. = 6.3 DEGREES
REMARK 500 4 TRP A 38 NE1 - CE2 - CZ2 ANGL. DEV. = 9.5 DEGREES
REMARK 500 4 TRP A 38 NE1 - CE2 - CD2 ANGL. DEV. = -6.8 DEGREES
REMARK 500 4 TRP A 38 CG - CD2 - CE3 ANGL. DEV. = -6.8 DEGREES
REMARK 500 5 TRP A 37 CG - CD1 - NE1 ANGL. DEV. = -6.3 DEGREES
REMARK 500 5 TRP A 37 CD1 - NE1 - CE2 ANGL. DEV. = 5.9 DEGREES
REMARK 500 5 TRP A 37 NE1 - CE2 - CZ2 ANGL. DEV. = 8.2 DEGREES
REMARK 500 5 TRP A 37 NE1 - CE2 - CD2 ANGL. DEV. = -6.2 DEGREES
REMARK 500 5 TRP A 38 CG - CD1 - NE1 ANGL. DEV. = -6.6 DEGREES
REMARK 500 5 TRP A 38 CD1 - NE1 - CE2 ANGL. DEV. = 6.2 DEGREES
REMARK 500 5 TRP A 38 NE1 - CE2 - CZ2 ANGL. DEV. = 9.5 DEGREES
REMARK 500 5 TRP A 38 NE1 - CE2 - CD2 ANGL. DEV. = -6.8 DEGREES
REMARK 500 5 TRP A 38 CG - CD2 - CE3 ANGL. DEV. = -6.4 DEGREES
REMARK 500 6 TRP A 37 CG - CD1 - NE1 ANGL. DEV. = -6.4 DEGREES
REMARK 500 6 TRP A 37 CD1 - NE1 - CE2 ANGL. DEV. = 6.1 DEGREES
REMARK 500 6 TRP A 37 NE1 - CE2 - CZ2 ANGL. DEV. = 8.3 DEGREES
REMARK 500 6 TRP A 37 NE1 - CE2 - CD2 ANGL. DEV. = -6.3 DEGREES
REMARK 500 6 TRP A 38 CG - CD1 - NE1 ANGL. DEV. = -7.4 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 182 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 ALA A 7 114.21 -30.71
REMARK 500 1 PRO A 13 152.85 -43.91
REMARK 500 1 GLN A 14 7.98 -150.84
REMARK 500 1 GLU A 18 177.82 -42.34
REMARK 500 1 ARG A 23 132.79 -7.65
REMARK 500 1 VAL A 29 91.49 -63.29
REMARK 500 1 ASP A 31 96.65 -166.11
REMARK 500 1 ASN A 32 104.64 -55.47
REMARK 500 1 SER A 33 -64.90 -90.86
REMARK 500 1 CYS A 42 -94.33 -145.03
REMARK 500 1 HIS A 43 75.57 -60.69
REMARK 500 2 THR A 3 36.07 -143.12
REMARK 500 2 ALA A 7 111.97 -20.93
REMARK 500 2 PRO A 13 155.02 -42.31
REMARK 500 2 GLU A 18 177.20 -41.38
REMARK 500 2 ARG A 23 128.78 -10.08
REMARK 500 2 VAL A 29 84.81 -63.55
REMARK 500 2 ASP A 31 90.99 -169.30
REMARK 500 2 ASN A 32 104.35 -50.20
REMARK 500 2 CYS A 42 -108.04 -161.14
REMARK 500 2 HIS A 43 -37.74 -26.96
REMARK 500 3 SER A 2 145.07 69.98
REMARK 500 3 ALA A 7 110.61 -30.27
REMARK 500 3 ARG A 23 137.59 -16.61
REMARK 500 3 VAL A 29 98.84 -69.39
REMARK 500 3 ASP A 31 114.48 -178.24
REMARK 500 3 ASN A 32 109.82 -56.72
REMARK 500 3 CYS A 42 -103.45 -166.06
REMARK 500 3 HIS A 43 -30.85 -29.92
REMARK 500 3 ASN A 58 -109.13 -79.94
REMARK 500 4 THR A 3 24.47 -168.83
REMARK 500 4 VAL A 5 -167.24 -129.14
REMARK 500 4 ALA A 7 110.93 -24.69
REMARK 500 4 ARG A 23 138.07 -19.72
REMARK 500 4 VAL A 29 97.69 -60.63
REMARK 500 4 ASP A 31 101.20 -175.25
REMARK 500 4 ASN A 32 100.88 -51.34
REMARK 500 4 SER A 33 -77.34 -94.22
REMARK 500 4 CYS A 42 -94.62 -152.31
REMARK 500 4 HIS A 43 77.02 -59.96
REMARK 500 5 SER A 2 6.10 -154.19
REMARK 500 5 THR A 3 33.27 -97.95
REMARK 500 5 ALA A 7 110.69 -22.25
REMARK 500 5 PRO A 13 106.43 -43.94
REMARK 500 5 ARG A 23 136.25 -19.11
REMARK 500 5 VAL A 29 89.58 -65.46
REMARK 500 5 ASP A 31 82.29 -161.28
REMARK 500 5 ASN A 32 96.62 -54.10
REMARK 500 5 SER A 33 -84.96 -96.94
REMARK 500 5 CYS A 42 -96.12 -169.96
REMARK 500 5 HIS A 43 77.41 -57.85
REMARK 500 6 VAL A 5 -165.64 -123.29
REMARK 500 6 ALA A 7 111.76 -25.50
REMARK 500 6 PRO A 13 -160.18 -49.63
REMARK 500 6 GLN A 14 -16.57 158.34
REMARK 500 6 ARG A 23 139.24 -18.83
REMARK 500 6 VAL A 29 90.80 -60.04
REMARK 500 6 ASP A 31 111.74 -178.56
REMARK 500 6 ASN A 32 99.12 -57.29
REMARK 500 6 SER A 33 -68.16 -94.19
REMARK 500 6 CYS A 42 -89.72 -158.39
REMARK 500 6 HIS A 43 73.45 -60.73
REMARK 500 6 VAL A 57 42.86 -95.46
REMARK 500 7 VAL A 5 -165.24 -117.57
REMARK 500 7 ALA A 7 110.97 -21.46
REMARK 500 7 GLN A 14 -11.62 -154.42
REMARK 500 7 ARG A 23 138.83 -16.42
REMARK 500 7 VAL A 29 86.42 -59.24
REMARK 500 7 ASN A 32 94.11 -68.71
REMARK 500 7 SER A 33 -74.34 -98.16
REMARK 500 7 CYS A 42 -95.20 -170.52
REMARK 500 7 HIS A 43 78.84 -58.61
REMARK 500 8 TYR A 4 154.73 178.84
REMARK 500 8 ALA A 7 113.45 -26.49
REMARK 500 8 PRO A 13 -147.80 -50.54
REMARK 500 8 GLN A 14 -30.49 159.25
REMARK 500 8 ARG A 23 138.46 -13.68
REMARK 500 8 VAL A 29 92.95 -66.33
REMARK 500 8 ASP A 31 104.81 -171.48
REMARK 500 8 ASN A 32 104.55 -58.40
REMARK 500 8 SER A 33 -66.94 -97.50
REMARK 500 8 CYS A 42 -94.00 -172.01
REMARK 500 8 HIS A 43 77.64 -58.42
REMARK 500 9 SER A 2 -70.11 165.65
REMARK 500 9 THR A 3 90.60 37.92
REMARK 500 9 ALA A 7 115.66 -28.13
REMARK 500 9 PRO A 13 108.73 -44.75
REMARK 500 9 GLU A 18 -179.38 -54.40
REMARK 500 9 ARG A 23 127.76 -15.56
REMARK 500 9 ASP A 31 116.29 -179.23
REMARK 500 9 CYS A 42 -91.18 -163.89
REMARK 500 9 HIS A 43 77.11 -59.98
REMARK 500 9 ASN A 52 2.39 -67.50
REMARK 500 10 SER A 2 -163.52 -112.28
REMARK 500 10 ALA A 7 110.55 -29.26
REMARK 500 10 PRO A 13 162.66 -43.62
REMARK 500 10 GLN A 14 -12.18 -151.61
REMARK 500 10 ARG A 23 135.74 -13.56
REMARK 500 10 ASP A 31 87.82 -158.01
REMARK 500 10 ASN A 32 82.78 -68.15
REMARK 500 10 SER A 33 -83.14 -95.70
REMARK 500 10 CYS A 42 -100.93 -155.25
REMARK 500 10 HIS A 43 80.29 -53.65
REMARK 500 10 ASN A 58 -105.10 -143.51
REMARK 500 11 TYR A 4 148.79 175.21
REMARK 500 11 ALA A 7 115.25 -24.40
REMARK 500 11 PRO A 13 -158.62 -47.55
REMARK 500 11 GLN A 14 -23.07 165.67
REMARK 500 11 ARG A 23 137.92 -18.71
REMARK 500 11 VAL A 29 94.97 -59.83
REMARK 500 11 ASP A 31 99.80 -170.25
REMARK 500 11 ASN A 32 101.53 -54.56
REMARK 500 11 SER A 33 -72.89 -94.04
REMARK 500 11 CYS A 42 -100.25 -155.37
REMARK 500 11 HIS A 43 82.19 -52.77
REMARK 500 12 SER A 2 -105.10 46.45
REMARK 500 12 ALA A 7 115.54 -24.22
REMARK 500 12 PRO A 13 149.23 -39.84
REMARK 500 12 ASP A 16 42.88 -89.03
REMARK 500 12 ARG A 23 135.25 -12.80
REMARK 500 12 ASP A 31 126.23 171.58
REMARK 500 12 ASN A 32 109.78 -49.97
REMARK 500 12 SER A 33 -65.69 -92.51
REMARK 500 12 CYS A 42 -93.82 -170.33
REMARK 500 12 HIS A 43 78.22 -59.69
REMARK 500 12 ASN A 52 9.12 -61.10
REMARK 500 13 SER A 2 16.66 -170.54
REMARK 500 13 TYR A 4 151.30 175.84
REMARK 500 13 ALA A 7 111.69 -14.55
REMARK 500 13 PRO A 13 106.62 -43.64
REMARK 500 13 ARG A 23 140.25 -15.98
REMARK 500 13 VAL A 29 96.65 -63.07
REMARK 500 13 ASP A 31 85.06 -156.90
REMARK 500 13 ASN A 32 91.78 -61.18
REMARK 500 13 SER A 33 -85.86 -103.10
REMARK 500 13 PRO A 35 -71.21 -65.05
REMARK 500 13 CYS A 42 -179.72 -175.61
REMARK 500 13 HIS A 43 26.29 40.78
REMARK 500 14 SER A 2 34.59 -149.15
REMARK 500 14 THR A 3 94.22 -64.54
REMARK 500 14 TYR A 4 138.72 -173.26
REMARK 500 14 VAL A 5 -167.95 -128.42
REMARK 500 14 ALA A 7 115.73 -34.79
REMARK 500 14 ARG A 23 135.27 -12.70
REMARK 500 14 ASP A 31 108.52 -172.06
REMARK 500 14 SER A 33 -66.55 -91.25
REMARK 500 14 CYS A 42 -178.85 -172.70
REMARK 500 14 HIS A 43 21.79 39.60
REMARK 500 15 ALA A 7 111.15 -21.54
REMARK 500 15 ARG A 23 130.25 -14.63
REMARK 500 15 VAL A 29 94.81 -67.12
REMARK 500 15 ASP A 31 83.44 -160.46
REMARK 500 15 ASN A 32 99.46 -52.93
REMARK 500 15 SER A 33 -78.06 -95.17
REMARK 500 15 CYS A 42 -98.24 -155.81
REMARK 500 15 HIS A 43 80.14 -55.47
REMARK 500 15 ASN A 52 2.43 -69.03
REMARK 500 16 THR A 3 30.23 -156.25
REMARK 500 16 ALA A 7 110.57 -19.92
REMARK 500 16 PRO A 13 159.15 -43.66
REMARK 500 16 GLN A 14 -4.50 -146.55
REMARK 500 16 GLU A 18 -179.30 -49.97
REMARK 500 16 ARG A 23 131.45 -11.68
REMARK 500 16 ASP A 31 119.01 179.80
REMARK 500 16 ASN A 32 108.55 -49.13
REMARK 500 16 CYS A 42 -112.60 -161.29
REMARK 500 16 HIS A 43 -42.35 -21.93
REMARK 500 16 VAL A 57 -144.94 -94.25
REMARK 500 16 ASN A 58 8.47 -157.51
REMARK 500 17 SER A 2 36.88 -162.69
REMARK 500 17 THR A 3 158.03 -44.05
REMARK 500 17 TYR A 4 156.77 179.22
REMARK 500 17 ALA A 7 111.69 -33.84
REMARK 500 17 GLN A 14 2.76 58.79
REMARK 500 17 ASP A 16 30.84 -86.89
REMARK 500 17 ARG A 23 135.02 -13.13
REMARK 500 17 VAL A 29 92.46 -64.16
REMARK 500 17 ASP A 31 92.53 -164.23
REMARK 500 17 ASN A 32 99.24 -58.75
REMARK 500 17 SER A 33 -82.64 -96.47
REMARK 500 17 HIS A 43 23.18 41.01
REMARK 500 17 ASN A 58 -135.01 -157.12
REMARK 500 18 ALA A 7 116.63 -29.05
REMARK 500 18 PRO A 13 157.27 -43.95
REMARK 500 18 GLN A 14 -3.53 -145.30
REMARK 500 18 ARG A 23 135.85 -4.01
REMARK 500 18 ASP A 31 108.34 -174.21
REMARK 500 18 ASN A 32 107.60 -58.03
REMARK 500 18 CYS A 42 -86.84 -158.79
REMARK 500 18 HIS A 43 74.32 -62.95
REMARK 500 19 THR A 3 87.84 -161.61
REMARK 500 19 ALA A 7 116.13 -32.20
REMARK 500 19 ARG A 23 141.05 -20.53
REMARK 500 19 VAL A 29 99.02 -61.13
REMARK 500 19 ASP A 31 80.34 -163.81
REMARK 500 19 ASN A 32 87.02 -61.04
REMARK 500 19 SER A 33 -72.59 -103.76
REMARK 500 19 PRO A 35 -72.89 -66.26
REMARK 500 19 CYS A 42 -79.74 -168.81
REMARK 500 19 HIS A 43 29.78 -65.07
REMARK 500 20 VAL A 5 -162.97 -125.94
REMARK 500 20 ALA A 7 111.52 -24.09
REMARK 500 20 GLU A 18 -168.72 -101.85
REMARK 500 20 ARG A 23 138.22 -15.42
REMARK 500 20 VAL A 29 85.11 -57.64
REMARK 500 20 ASP A 31 99.75 -170.56
REMARK 500 20 ASN A 32 97.78 -53.18
REMARK 500 20 SER A 33 -71.33 -96.26
REMARK 500 20 CYS A 42 -114.55 -160.58
REMARK 500 20 HIS A 43 -45.11 -20.95
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 ARG A 23 0.27 SIDE_CHAIN
REMARK 500 1 ARG A 51 0.25 SIDE_CHAIN
REMARK 500 2 ARG A 22 0.32 SIDE_CHAIN
REMARK 500 2 ARG A 23 0.13 SIDE_CHAIN
REMARK 500 2 ARG A 59 0.27 SIDE_CHAIN
REMARK 500 3 ARG A 22 0.22 SIDE_CHAIN
REMARK 500 3 ARG A 23 0.32 SIDE_CHAIN
REMARK 500 3 ARG A 51 0.25 SIDE_CHAIN
REMARK 500 3 ARG A 59 0.28 SIDE_CHAIN
REMARK 500 4 ARG A 22 0.23 SIDE_CHAIN
REMARK 500 4 ARG A 23 0.30 SIDE_CHAIN
REMARK 500 4 ARG A 51 0.32 SIDE_CHAIN
REMARK 500 4 ARG A 59 0.32 SIDE_CHAIN
REMARK 500 5 ARG A 22 0.11 SIDE_CHAIN
REMARK 500 5 ARG A 23 0.25 SIDE_CHAIN
REMARK 500 5 ARG A 59 0.27 SIDE_CHAIN
REMARK 500 6 ARG A 22 0.29 SIDE_CHAIN
REMARK 500 6 ARG A 23 0.26 SIDE_CHAIN
REMARK 500 6 ARG A 51 0.32 SIDE_CHAIN
REMARK 500 6 ARG A 59 0.21 SIDE_CHAIN
REMARK 500 7 ARG A 22 0.22 SIDE_CHAIN
REMARK 500 7 ARG A 23 0.31 SIDE_CHAIN
REMARK 500 7 ARG A 51 0.29 SIDE_CHAIN
REMARK 500 7 ARG A 59 0.15 SIDE_CHAIN
REMARK 500 8 ARG A 22 0.21 SIDE_CHAIN
REMARK 500 8 ARG A 23 0.26 SIDE_CHAIN
REMARK 500 8 ARG A 51 0.29 SIDE_CHAIN
REMARK 500 8 ARG A 59 0.32 SIDE_CHAIN
REMARK 500 9 ARG A 22 0.18 SIDE_CHAIN
REMARK 500 9 ARG A 23 0.24 SIDE_CHAIN
REMARK 500 9 ARG A 51 0.28 SIDE_CHAIN
REMARK 500 9 ARG A 59 0.18 SIDE_CHAIN
REMARK 500 10 ARG A 22 0.27 SIDE_CHAIN
REMARK 500 10 ARG A 23 0.31 SIDE_CHAIN
REMARK 500 10 ARG A 51 0.26 SIDE_CHAIN
REMARK 500 10 ARG A 59 0.32 SIDE_CHAIN
REMARK 500 11 ARG A 22 0.32 SIDE_CHAIN
REMARK 500 11 ARG A 51 0.32 SIDE_CHAIN
REMARK 500 11 ARG A 59 0.19 SIDE_CHAIN
REMARK 500 12 ARG A 22 0.24 SIDE_CHAIN
REMARK 500 12 ARG A 23 0.32 SIDE_CHAIN
REMARK 500 12 ARG A 51 0.31 SIDE_CHAIN
REMARK 500 12 ARG A 59 0.32 SIDE_CHAIN
REMARK 500 13 ARG A 22 0.23 SIDE_CHAIN
REMARK 500 13 ARG A 23 0.25 SIDE_CHAIN
REMARK 500 13 ARG A 51 0.11 SIDE_CHAIN
REMARK 500 13 ARG A 59 0.23 SIDE_CHAIN
REMARK 500 14 ARG A 22 0.21 SIDE_CHAIN
REMARK 500 14 ARG A 23 0.16 SIDE_CHAIN
REMARK 500 14 ARG A 51 0.28 SIDE_CHAIN
REMARK 500 15 ARG A 22 0.29 SIDE_CHAIN
REMARK 500 15 ARG A 23 0.31 SIDE_CHAIN
REMARK 500 15 ARG A 51 0.24 SIDE_CHAIN
REMARK 500 15 ARG A 59 0.11 SIDE_CHAIN
REMARK 500 16 ARG A 22 0.32 SIDE_CHAIN
REMARK 500 16 ARG A 23 0.30 SIDE_CHAIN
REMARK 500 16 ARG A 51 0.19 SIDE_CHAIN
REMARK 500 16 ARG A 59 0.29 SIDE_CHAIN
REMARK 500 17 ARG A 22 0.26 SIDE_CHAIN
REMARK 500 17 ARG A 23 0.19 SIDE_CHAIN
REMARK 500 17 ARG A 51 0.30 SIDE_CHAIN
REMARK 500 18 ARG A 22 0.22 SIDE_CHAIN
REMARK 500 18 ARG A 23 0.21 SIDE_CHAIN
REMARK 500 18 ARG A 51 0.20 SIDE_CHAIN
REMARK 500 18 ARG A 59 0.32 SIDE_CHAIN
REMARK 500 19 ARG A 22 0.27 SIDE_CHAIN
REMARK 500 19 ARG A 23 0.29 SIDE_CHAIN
REMARK 500 19 ARG A 51 0.29 SIDE_CHAIN
REMARK 500 19 ARG A 59 0.29 SIDE_CHAIN
REMARK 500 20 ARG A 22 0.24 SIDE_CHAIN
REMARK 500 20 ARG A 23 0.32 SIDE_CHAIN
REMARK 500 20 ARG A 51 0.32 SIDE_CHAIN
REMARK 500 20 ARG A 59 0.30 SIDE_CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1GFC RELATED DB: PDB
DBREF 1GFD A 3 59 UNP P62993 GRB2_HUMAN 159 215
SEQRES 1 A 59 GLY SER THR TYR VAL GLN ALA LEU PHE ASP PHE ASP PRO
SEQRES 2 A 59 GLN GLU ASP GLY GLU LEU GLY PHE ARG ARG GLY ASP PHE
SEQRES 3 A 59 ILE HIS VAL MET ASP ASN SER ASP PRO ASN TRP TRP LYS
SEQRES 4 A 59 GLY ALA CYS HIS GLY GLN THR GLY MET PHE PRO ARG ASN
SEQRES 5 A 59 TYR VAL THR PRO VAL ASN ARG
HELIX 1 GH ARG A 51 TYR A 53 53/10 HELIX 3
SHEET 1 B1 3 ASP A 25 VAL A 29 0
SHEET 2 B1 3 TYR A 4 ALA A 7 -1 O VAL A 5 N ILE A 27
SHEET 3 B1 3 VAL A 54 PRO A 56 -1 O THR A 55 N GLN A 6
SHEET 1 B2 2 PHE A 9 ASP A 12 0
SHEET 2 B2 2 GLY A 20 ARG A 22 -1 O PHE A 21 N PHE A 11
SHEET 1 B3 3 ASP A 31 ASN A 32 0
SHEET 2 B3 3 TRP A 37 CYS A 42 -1 N LYS A 39 O ASP A 31
SHEET 3 B3 3 GLN A 45 PRO A 50 -1 N PHE A 49 O TRP A 38
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
