Header list of 1qly.pdb file
Complete list - r 25 2 Bytes
HEADER TYROSINE-PROTEIN KINASE 20-SEP-99 1QLY
TITLE NMR STUDY OF THE SH3 DOMAIN FROM BRUTON'S TYROSINE KINASE,
TITLE 2 20 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE BTK;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: SH3 DOMAIN RESIDUES 216 - 273;
COMPND 5 SYNONYM: BRUTONS TYROSINE KINASE, B CELL PROGENITOR
COMPND 6 KINASE, BPK, AGAMMAGLOBULINAEMIA TYROSINE KINASE, ATK;
COMPND 7 EC: 2.7.1.112;
COMPND 8 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 TISSUE: BLOOD;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21;
SOURCE 9 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21B
KEYWDS TRANSFERASE, TYROSINE-PROTEIN KINASE, PHOSPHORYLATION, SH3
KEYWDS 2 DOMAIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR S.R.TZENG,Y.C.LOU,M.T.PAI,C.CHEN,S.H.CHEN,J.Y.CHENG
REVDAT 4 24-FEB-09 1QLY 1 VERSN
REVDAT 3 03-JUN-00 1QLY 1 JRNL
REVDAT 2 11-JAN-00 1QLY 1 SHEET
REVDAT 1 14-DEC-99 1QLY 0
JRNL AUTH S.R.TZENG,Y.C.LOU,M.T.PAI,C.P.CHEN,S.H.CHEN,
JRNL AUTH 2 J.W.CHENG
JRNL TITL SOLUTION STRUCTURE OF THE HUMAN BTK SH3 DOMAIN
JRNL TITL 2 COMPLEXED WITH A PROLINE-RICH PEPTIDE FROM P120CBL
JRNL REF J.BIOMOL.NMR V. 16 303 2000
JRNL REFN ISSN 0925-2738
JRNL PMID 10826882
JRNL DOI 10.1023/A:1008376624863
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH H.HANSSON,P.T.MATTSSON,P.ALLARD,P.HAAPANIEMI,
REMARK 1 AUTH 2 M.VIHINEN,C.I.E.SMITH,T.HARD
REMARK 1 TITL SOLUTION STRUCTURE OF THE SH3 DOMAIN FROM BRUTON'S
REMARK 1 TITL 2 TYROSINE KINASE
REMARK 1 REF BIOCHEMISTRY V. 37 2912 1998
REMARK 1 REFN ISSN 0006-2960
REMARK 1 PMID 9485443
REMARK 1 DOI 10.1021/BI972409F
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851
REMARK 3 AUTHORS : A. T. BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1QLY COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 20-SEP-99.
REMARK 100 THE PDBE ID CODE IS EBI-4024.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 50 MM K2HPO4, 100 MM NACL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 90% WATER / 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; TOCSY; DQF-COSY;
REMARK 210 15N-NOESY-HSQC
REMARK 210 SPECTROMETER FIELD STRENGTH : 600; 500
REMARK 210 SPECTROMETER MODEL : AVANCE600; AVANCE500
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY
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: 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 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 6 176.78 -50.51
REMARK 500 1 LEU A 7 -59.74 -146.25
REMARK 500 1 ASN A 14 -59.83 -128.87
REMARK 500 1 ALA A 15 -59.68 -163.55
REMARK 500 1 SER A 32 -169.03 -174.91
REMARK 500 1 TRP A 37 -159.91 -118.66
REMARK 500 1 ASP A 41 179.08 -54.21
REMARK 500 1 TYR A 53 -115.20 -114.56
REMARK 500 1 VAL A 54 -147.28 31.95
REMARK 500 1 GLU A 56 -136.16 60.87
REMARK 500 2 LYS A 2 -174.69 -59.13
REMARK 500 2 ALA A 6 175.43 -48.62
REMARK 500 2 LEU A 7 -44.41 -160.06
REMARK 500 2 ASP A 9 148.87 62.25
REMARK 500 2 TYR A 10 109.92 -160.04
REMARK 500 2 PRO A 12 -78.40 -77.08
REMARK 500 2 ASN A 14 -33.54 -178.06
REMARK 500 2 LEU A 20 163.53 -49.13
REMARK 500 2 ARG A 21 27.93 -142.82
REMARK 500 2 GLU A 30 160.08 179.99
REMARK 500 2 SER A 32 -171.33 -179.97
REMARK 500 2 LEU A 34 163.56 -42.81
REMARK 500 2 TRP A 37 -158.77 -114.16
REMARK 500 2 ARG A 38 79.59 -119.28
REMARK 500 2 TYR A 53 -114.40 -130.35
REMARK 500 2 VAL A 54 -148.09 31.46
REMARK 500 2 GLU A 56 -135.36 58.96
REMARK 500 3 LYS A 2 -162.38 -124.24
REMARK 500 3 ALA A 6 -179.84 -50.64
REMARK 500 3 LEU A 7 -69.45 -146.55
REMARK 500 3 ASP A 9 154.75 77.46
REMARK 500 3 ASN A 14 -73.45 -116.43
REMARK 500 3 ALA A 15 -60.30 -179.92
REMARK 500 3 ASP A 17 126.18 -39.11
REMARK 500 3 GLN A 19 95.86 -61.00
REMARK 500 3 LEU A 20 162.75 -43.98
REMARK 500 3 GLU A 30 -116.82 -158.12
REMARK 500 3 GLU A 31 -165.76 162.38
REMARK 500 3 SER A 32 140.83 164.25
REMARK 500 3 LEU A 34 165.99 -42.94
REMARK 500 3 TRP A 37 -159.82 -141.99
REMARK 500 3 ASP A 41 177.29 -47.89
REMARK 500 3 VAL A 54 -146.02 -150.26
REMARK 500 3 GLU A 56 -123.41 60.11
REMARK 500 3 ALA A 57 58.85 -65.14
REMARK 500 4 LYS A 3 60.01 -156.36
REMARK 500 4 ALA A 6 -179.68 -49.58
REMARK 500 4 LEU A 7 -55.00 -153.66
REMARK 500 4 MET A 13 15.35 -147.84
REMARK 500 4 ASN A 14 -64.48 -107.55
REMARK 500 4 ALA A 15 -54.51 -156.32
REMARK 500 4 ASN A 16 18.98 -155.37
REMARK 500 4 ARG A 21 25.11 -141.02
REMARK 500 4 SER A 32 -166.30 -177.47
REMARK 500 4 TRP A 37 -156.88 -132.57
REMARK 500 4 ASP A 41 164.96 -49.25
REMARK 500 4 TYR A 53 -121.01 -117.40
REMARK 500 4 VAL A 54 -149.31 31.28
REMARK 500 4 THR A 55 -137.49 -173.05
REMARK 500 4 GLU A 56 -129.04 35.71
REMARK 500 5 ALA A 6 -173.51 -52.59
REMARK 500 5 LEU A 7 -68.29 -149.74
REMARK 500 5 ASP A 9 143.57 64.62
REMARK 500 5 TYR A 10 109.16 -160.02
REMARK 500 5 ASN A 14 -37.40 -160.69
REMARK 500 5 GLN A 19 99.10 -60.99
REMARK 500 5 GLU A 30 -72.59 -143.68
REMARK 500 5 GLU A 31 154.98 84.76
REMARK 500 5 SER A 32 -162.62 -170.83
REMARK 500 5 LEU A 34 162.50 -41.24
REMARK 500 5 TRP A 37 -162.20 -127.77
REMARK 500 5 ASP A 41 178.69 -48.12
REMARK 500 5 VAL A 54 -151.87 -155.67
REMARK 500 5 THR A 55 -136.34 -172.09
REMARK 500 5 GLU A 56 -120.72 43.51
REMARK 500 5 ALA A 57 51.26 -69.20
REMARK 500 6 LYS A 2 47.48 -151.75
REMARK 500 6 LYS A 3 40.41 -156.57
REMARK 500 6 ALA A 6 -179.53 -49.14
REMARK 500 6 LEU A 7 -52.79 -156.23
REMARK 500 6 MET A 13 37.01 -174.44
REMARK 500 6 ASN A 14 -80.83 -169.90
REMARK 500 6 GLU A 31 -158.29 -141.07
REMARK 500 6 SER A 32 156.06 175.62
REMARK 500 6 TRP A 37 -166.46 -122.09
REMARK 500 6 ASP A 41 -177.76 -56.03
REMARK 500 6 VAL A 54 -151.14 -54.31
REMARK 500 6 THR A 55 -134.52 -167.33
REMARK 500 6 GLU A 56 -122.14 38.70
REMARK 500 6 ALA A 57 89.24 -54.66
REMARK 500 7 ALA A 6 -178.11 -50.34
REMARK 500 7 LEU A 7 -46.65 -158.19
REMARK 500 7 ASN A 14 -85.31 -143.51
REMARK 500 7 ALA A 15 73.31 -160.61
REMARK 500 7 ASN A 16 -67.64 -162.64
REMARK 500 7 GLU A 30 -172.28 -179.63
REMARK 500 7 SER A 32 -140.61 -128.90
REMARK 500 7 ASN A 33 -84.48 -43.19
REMARK 500 7 LEU A 34 -68.47 -146.79
REMARK 500 7 TRP A 37 -166.06 -129.86
REMARK 500 7 ASP A 41 -176.54 -64.05
REMARK 500 7 TYR A 53 -117.10 -120.27
REMARK 500 7 VAL A 54 -150.50 32.91
REMARK 500 7 THR A 55 -134.82 -173.97
REMARK 500 7 GLU A 56 -119.42 40.87
REMARK 500 8 ALA A 6 -179.40 -49.88
REMARK 500 8 LEU A 7 -60.97 -150.09
REMARK 500 8 MET A 13 -37.04 -161.93
REMARK 500 8 ASN A 14 -31.10 -177.60
REMARK 500 8 GLU A 30 150.06 179.99
REMARK 500 8 LEU A 34 166.84 -43.56
REMARK 500 8 TRP A 37 -162.47 -112.57
REMARK 500 8 ARG A 38 78.13 -118.48
REMARK 500 8 ASP A 41 172.55 -55.41
REMARK 500 8 VAL A 54 -145.68 -150.29
REMARK 500 8 GLU A 56 -124.12 59.25
REMARK 500 8 ALA A 57 75.24 -61.02
REMARK 500 9 LYS A 3 53.68 -162.50
REMARK 500 9 ALA A 6 176.16 -47.33
REMARK 500 9 LEU A 7 -47.30 -152.68
REMARK 500 9 ASN A 14 -27.83 166.46
REMARK 500 9 GLN A 19 93.99 -46.60
REMARK 500 9 LEU A 20 156.58 -49.61
REMARK 500 9 GLU A 30 -102.28 -176.12
REMARK 500 9 GLU A 31 175.16 169.71
REMARK 500 9 SER A 32 -154.05 -146.62
REMARK 500 9 ASN A 33 -75.70 -42.74
REMARK 500 9 LEU A 34 -67.07 -152.41
REMARK 500 9 TRP A 37 -159.17 -119.87
REMARK 500 9 ASP A 41 174.31 -50.17
REMARK 500 9 VAL A 54 -157.08 -157.85
REMARK 500 9 THR A 55 -130.70 -163.31
REMARK 500 9 GLU A 56 -129.34 38.68
REMARK 500 9 ALA A 57 -168.28 -56.09
REMARK 500 10 LYS A 3 104.55 -161.66
REMARK 500 10 ALA A 6 175.94 -48.79
REMARK 500 10 LEU A 7 -73.10 -152.18
REMARK 500 10 ASP A 9 157.45 69.84
REMARK 500 10 ALA A 15 -78.75 -146.46
REMARK 500 10 ASN A 16 35.88 -152.60
REMARK 500 10 GLU A 31 -166.65 -129.16
REMARK 500 10 SER A 32 154.44 174.28
REMARK 500 10 LEU A 34 161.39 -42.73
REMARK 500 10 TRP A 37 -167.50 -114.47
REMARK 500 10 ASP A 41 168.63 -44.01
REMARK 500 10 VAL A 54 -156.35 -157.78
REMARK 500 10 THR A 55 -131.76 -166.65
REMARK 500 10 GLU A 56 -130.07 39.97
REMARK 500 11 ALA A 6 -179.87 -50.49
REMARK 500 11 LEU A 7 -46.02 -155.46
REMARK 500 11 ASN A 14 -82.89 -112.07
REMARK 500 11 ALA A 15 60.96 179.98
REMARK 500 11 ASN A 16 -59.48 -146.76
REMARK 500 11 GLU A 30 155.79 179.94
REMARK 500 11 GLU A 31 -156.13 -127.77
REMARK 500 11 SER A 32 -161.51 176.78
REMARK 500 11 LEU A 34 167.92 -49.99
REMARK 500 11 TRP A 37 -162.89 -128.98
REMARK 500 11 ASP A 41 178.33 -54.47
REMARK 500 11 TYR A 53 37.07 -141.54
REMARK 500 11 VAL A 54 -148.36 -158.17
REMARK 500 11 THR A 55 -135.99 -170.44
REMARK 500 11 GLU A 56 -122.63 37.95
REMARK 500 11 ALA A 57 76.04 -62.23
REMARK 500 12 ALA A 6 179.87 -52.77
REMARK 500 12 LEU A 7 -52.54 -151.83
REMARK 500 12 ASN A 14 -152.53 -161.01
REMARK 500 12 ASN A 16 -69.78 -133.09
REMARK 500 12 GLU A 30 -54.27 -175.94
REMARK 500 12 GLU A 31 127.41 62.09
REMARK 500 12 SER A 32 -157.61 -115.04
REMARK 500 12 LEU A 34 -175.39 -60.24
REMARK 500 12 TRP A 37 -163.97 -106.58
REMARK 500 12 ASP A 41 174.41 -47.96
REMARK 500 12 VAL A 54 -150.68 -151.08
REMARK 500 12 THR A 55 -133.28 -172.62
REMARK 500 12 GLU A 56 -120.85 41.30
REMARK 500 12 ALA A 57 54.45 -67.91
REMARK 500 13 LYS A 3 78.35 -118.48
REMARK 500 13 ALA A 6 176.50 -51.03
REMARK 500 13 LEU A 7 -62.58 -149.10
REMARK 500 13 ASP A 9 149.87 62.30
REMARK 500 13 ASN A 14 -31.92 -177.63
REMARK 500 13 ARG A 21 28.59 -154.68
REMARK 500 13 GLU A 30 -56.35 -162.70
REMARK 500 13 GLU A 31 176.12 80.10
REMARK 500 13 SER A 32 -150.34 -169.05
REMARK 500 13 LEU A 34 171.42 -45.64
REMARK 500 13 ASP A 41 174.41 -51.58
REMARK 500 13 VAL A 54 -154.02 -146.29
REMARK 500 13 THR A 55 -134.16 -173.90
REMARK 500 13 GLU A 56 -119.32 43.39
REMARK 500 13 ALA A 57 57.65 -67.13
REMARK 500 14 ALA A 6 179.25 -48.91
REMARK 500 14 LEU A 7 -63.06 -146.98
REMARK 500 14 ASP A 9 157.06 71.60
REMARK 500 14 ASN A 14 -28.62 172.43
REMARK 500 14 SER A 32 -168.07 -160.75
REMARK 500 14 TRP A 37 -157.51 -125.59
REMARK 500 14 ASP A 41 177.44 -57.23
REMARK 500 14 VAL A 54 -144.94 -150.01
REMARK 500 14 GLU A 56 -123.33 62.22
REMARK 500 14 ALA A 57 62.52 -64.05
REMARK 500 15 ALA A 6 178.27 -51.01
REMARK 500 15 LEU A 7 -56.48 -146.51
REMARK 500 15 ASN A 14 -71.66 -78.77
REMARK 500 15 ALA A 15 -70.75 -144.70
REMARK 500 15 GLU A 30 -132.59 179.95
REMARK 500 15 GLU A 31 176.11 164.55
REMARK 500 15 SER A 32 148.86 -174.72
REMARK 500 15 LEU A 34 170.28 -45.41
REMARK 500 15 TRP A 37 -162.96 -111.39
REMARK 500 15 ASP A 41 177.37 -48.34
REMARK 500 15 VAL A 54 -149.54 -155.98
REMARK 500 15 GLU A 56 -132.22 56.57
REMARK 500 15 ALA A 57 161.83 -49.84
REMARK 500 16 LYS A 3 51.97 -160.01
REMARK 500 16 VAL A 4 108.32 -38.40
REMARK 500 16 ALA A 6 176.00 -46.14
REMARK 500 16 LEU A 7 -64.66 -146.99
REMARK 500 16 ASN A 14 -47.62 -149.76
REMARK 500 16 GLN A 19 99.79 -58.60
REMARK 500 16 ASP A 24 152.02 -49.34
REMARK 500 16 GLU A 30 -101.84 -147.15
REMARK 500 16 GLU A 31 -161.39 163.77
REMARK 500 16 SER A 32 160.73 170.30
REMARK 500 16 TRP A 37 -157.95 -123.19
REMARK 500 16 ASP A 41 175.68 -46.79
REMARK 500 16 VAL A 54 -152.58 -154.53
REMARK 500 16 THR A 55 -141.87 -156.93
REMARK 500 16 GLU A 56 -133.08 39.15
REMARK 500 17 ALA A 6 -174.97 -53.04
REMARK 500 17 LEU A 7 -45.03 -152.78
REMARK 500 17 ASP A 9 109.76 -43.06
REMARK 500 17 MET A 13 -30.80 -37.69
REMARK 500 17 GLN A 19 99.59 -32.80
REMARK 500 17 GLU A 30 -132.92 -151.99
REMARK 500 17 GLU A 31 -173.21 166.46
REMARK 500 17 SER A 32 177.86 165.04
REMARK 500 17 LEU A 34 163.54 -42.46
REMARK 500 17 TRP A 37 -159.59 -135.18
REMARK 500 17 ARG A 38 75.07 -114.37
REMARK 500 17 ASP A 41 176.63 -48.26
REMARK 500 17 TYR A 53 -71.39 -112.28
REMARK 500 17 VAL A 54 -157.24 -51.06
REMARK 500 17 THR A 55 -132.95 -169.22
REMARK 500 17 GLU A 56 -120.40 44.41
REMARK 500 17 ALA A 57 98.79 -53.88
REMARK 500 18 ALA A 6 -179.88 -49.89
REMARK 500 18 LEU A 7 -56.17 -155.88
REMARK 500 18 ASN A 14 -66.79 -149.37
REMARK 500 18 GLN A 19 94.35 -47.41
REMARK 500 18 GLU A 30 164.35 179.98
REMARK 500 18 SER A 32 -163.28 -170.75
REMARK 500 18 LEU A 34 164.58 -42.90
REMARK 500 18 TRP A 37 -157.40 -120.77
REMARK 500 18 ASP A 41 175.85 -52.98
REMARK 500 18 TYR A 53 -59.13 -121.34
REMARK 500 18 VAL A 54 -149.83 -54.53
REMARK 500 18 THR A 55 -134.81 -168.39
REMARK 500 18 GLU A 56 -120.82 38.43
REMARK 500 18 ALA A 57 63.00 -66.23
REMARK 500 19 LYS A 3 57.41 70.52
REMARK 500 19 ALA A 6 174.33 -47.74
REMARK 500 19 LEU A 7 -44.01 -148.07
REMARK 500 19 ASP A 9 153.84 57.94
REMARK 500 19 TYR A 10 97.06 -160.08
REMARK 500 19 ASN A 14 -75.37 -124.81
REMARK 500 19 ALA A 15 -33.27 180.00
REMARK 500 19 ASN A 16 -71.92 -45.92
REMARK 500 19 GLN A 19 95.90 -65.07
REMARK 500 19 LEU A 20 166.61 -42.81
REMARK 500 19 GLU A 30 -70.72 -150.64
REMARK 500 19 GLU A 31 166.44 78.63
REMARK 500 19 SER A 32 -169.76 175.38
REMARK 500 19 TRP A 37 -162.93 -126.45
REMARK 500 19 ASP A 41 176.48 -54.00
REMARK 500 19 THR A 55 -134.55 -157.17
REMARK 500 19 GLU A 56 -123.09 40.98
REMARK 500 20 LYS A 3 67.12 -111.70
REMARK 500 20 ALA A 6 179.33 -48.41
REMARK 500 20 LEU A 7 -60.32 -144.94
REMARK 500 20 MET A 13 35.90 -158.55
REMARK 500 20 ASN A 14 -53.97 -148.04
REMARK 500 20 ALA A 15 -87.50 -147.88
REMARK 500 20 ASN A 16 33.87 -142.57
REMARK 500 20 GLU A 30 -132.21 -167.40
REMARK 500 20 GLU A 31 -170.32 178.29
REMARK 500 20 SER A 32 153.05 172.92
REMARK 500 20 LEU A 34 166.57 -42.75
REMARK 500 20 TRP A 37 -155.69 -129.11
REMARK 500 20 VAL A 54 -150.05 -155.42
REMARK 500 20 GLU A 56 -136.29 55.04
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 21 0.13 SIDE CHAIN
REMARK 500 1 ARG A 38 0.21 SIDE CHAIN
REMARK 500 1 ARG A 40 0.24 SIDE CHAIN
REMARK 500 2 ARG A 21 0.24 SIDE CHAIN
REMARK 500 2 ARG A 38 0.14 SIDE CHAIN
REMARK 500 2 ARG A 40 0.19 SIDE CHAIN
REMARK 500 3 ARG A 21 0.29 SIDE CHAIN
REMARK 500 3 ARG A 38 0.31 SIDE CHAIN
REMARK 500 4 ARG A 21 0.29 SIDE CHAIN
REMARK 500 4 ARG A 38 0.31 SIDE CHAIN
REMARK 500 4 ARG A 40 0.21 SIDE CHAIN
REMARK 500 5 ARG A 21 0.27 SIDE CHAIN
REMARK 500 5 ARG A 38 0.15 SIDE CHAIN
REMARK 500 5 ARG A 40 0.29 SIDE CHAIN
REMARK 500 6 ARG A 21 0.31 SIDE CHAIN
REMARK 500 6 ARG A 38 0.25 SIDE CHAIN
REMARK 500 6 ARG A 40 0.17 SIDE CHAIN
REMARK 500 7 ARG A 21 0.32 SIDE CHAIN
REMARK 500 7 ARG A 38 0.31 SIDE CHAIN
REMARK 500 8 ARG A 21 0.20 SIDE CHAIN
REMARK 500 8 ARG A 38 0.12 SIDE CHAIN
REMARK 500 8 ARG A 40 0.17 SIDE CHAIN
REMARK 500 9 ARG A 21 0.28 SIDE CHAIN
REMARK 500 9 ARG A 38 0.13 SIDE CHAIN
REMARK 500 9 ARG A 40 0.30 SIDE CHAIN
REMARK 500 10 ARG A 21 0.16 SIDE CHAIN
REMARK 500 10 ARG A 38 0.27 SIDE CHAIN
REMARK 500 10 ARG A 40 0.31 SIDE CHAIN
REMARK 500 11 ARG A 21 0.28 SIDE CHAIN
REMARK 500 11 ARG A 38 0.25 SIDE CHAIN
REMARK 500 11 ARG A 40 0.20 SIDE CHAIN
REMARK 500 12 ARG A 21 0.18 SIDE CHAIN
REMARK 500 12 ARG A 38 0.13 SIDE CHAIN
REMARK 500 12 ARG A 40 0.28 SIDE CHAIN
REMARK 500 13 ARG A 21 0.24 SIDE CHAIN
REMARK 500 13 ARG A 38 0.23 SIDE CHAIN
REMARK 500 13 ARG A 40 0.25 SIDE CHAIN
REMARK 500 14 ARG A 21 0.32 SIDE CHAIN
REMARK 500 14 ARG A 38 0.29 SIDE CHAIN
REMARK 500 14 ARG A 40 0.30 SIDE CHAIN
REMARK 500 15 ARG A 21 0.12 SIDE CHAIN
REMARK 500 15 ARG A 38 0.31 SIDE CHAIN
REMARK 500 15 ARG A 40 0.10 SIDE CHAIN
REMARK 500 16 ARG A 21 0.32 SIDE CHAIN
REMARK 500 16 ARG A 38 0.32 SIDE CHAIN
REMARK 500 16 ARG A 40 0.32 SIDE CHAIN
REMARK 500 17 ARG A 21 0.28 SIDE CHAIN
REMARK 500 17 ARG A 38 0.27 SIDE CHAIN
REMARK 500 17 ARG A 40 0.19 SIDE CHAIN
REMARK 500 18 ARG A 21 0.14 SIDE CHAIN
REMARK 500 18 ARG A 38 0.29 SIDE CHAIN
REMARK 500 18 ARG A 40 0.19 SIDE CHAIN
REMARK 500 19 ARG A 21 0.31 SIDE CHAIN
REMARK 500 19 ARG A 38 0.25 SIDE CHAIN
REMARK 500 19 ARG A 40 0.27 SIDE CHAIN
REMARK 500 20 ARG A 21 0.25 SIDE CHAIN
REMARK 500 20 ARG A 38 0.08 SIDE CHAIN
REMARK 500 20 ARG A 40 0.31 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1AWX RELATED DB: PDB
REMARK 900 SH3 DOMAIN FROM BRUTON'S TYROSINE KINASE, NMR, MINIMIZED
REMARK 900 AVERAGE STRUCTURE
REMARK 900 RELATED ID: 1AWW RELATED DB: PDB
REMARK 900 SH3 DOMAIN FROM BRUTON'S TYROSINE KINASE, NMR, 42
REMARK 900 STRUCTURES
REMARK 900 RELATED ID: 1BTK RELATED DB: PDB
REMARK 900 PH DOMAIN AND BTK MOTIF FROM BRUTON'S TYROSINE KINASE
REMARK 900 MUTANT R28C
DBREF 1QLY A 1 58 UNP Q06187 BTK_HUMAN 216 273
SEQRES 1 A 58 LEU LYS LYS VAL VAL ALA LEU TYR ASP TYR MET PRO MET
SEQRES 2 A 58 ASN ALA ASN ASP LEU GLN LEU ARG LYS GLY ASP GLU TYR
SEQRES 3 A 58 PHE ILE LEU GLU GLU SER ASN LEU PRO TRP TRP ARG ALA
SEQRES 4 A 58 ARG ASP LYS ASN GLY GLN GLU GLY TYR ILE PRO SER ASN
SEQRES 5 A 58 TYR VAL THR GLU ALA GLU
SHEET 1 B1 5 VAL A 54 THR A 55 0
SHEET 2 B1 5 LYS A 3 ALA A 6 -1 N VAL A 4 O THR A 55
SHEET 3 B1 5 GLU A 25 LEU A 29 -1 N TYR A 26 O VAL A 4
SHEET 4 B1 5 TRP A 37 ASP A 41 -1 N ARG A 40 O PHE A 27
SHEET 5 B1 5 GLN A 45 ILE A 49 -1 N GLY A 47 O ALA A 39
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
Complete list - r 25 2 Bytes