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1FJS

CRYSTAL STRUCTURE OF THE INHIBITOR ZK-807834 (CI-1031) COMPLEXED WITH FACTOR XA

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 507
ChainResidue
AASP70
AASN72
AGLN75
AGLU77
AGLU80
AHOH612

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 508
ChainResidue
AARG115
AARG125
AALA81
AHIS83
ATHR113

site_idAC3
Number of Residues17
DetailsBINDING SITE FOR RESIDUE Z34 A 500
ChainResidue
ALYS96
AGLU97
ATHR98
APHE174
AASP189
AALA190
AGLN192
ASER195
AVAL213
ATRP215
AGLY216
AGLY218
AGLY226
AHOH605
AHOH606
AHOH608
AHOH712

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL L 501
ChainResidue
LPRO126
LGLY128
LPRO129
LPRO131
LHOH617

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 502
ChainResidue
AGLU124
AARG125
AGOL505

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 503
ChainResidue
APRO111
AMET131
AARG165
ALYS230
AHOH688
AHOH700
AHOH735

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 504
ChainResidue
AILE89
ALYS90
AASN92
ATRP237

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 505
ChainResidue
ALEU123
APRO124
AGOL502
AHOH622
LARG113

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 506
ChainResidue
ALYS65
AGLU84
AASP126
ATRP127
ASER130
AHOH761
LCYS100

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC
ChainResidueDetails
ALEU53-CYS58

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. DAcqGDSGGPHV
ChainResidueDetails
AASP189-VAL200

site_idPS01186
Number of Residues16
DetailsEGF_2 EGF-like domain signature 2. CsCarGYtladngkaC
ChainResidueDetails
LCYS109-CYS124

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: Charge relay system
ChainResidueDetails
AHIS57
AASP102
ASER195

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
AASP102
AHIS57

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
ASER195
AGLY196

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
ASER195
AGLY193

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
AASP102
ASER195
AHIS57

site_idCSA5
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
ASER195
AASP100
AGLY193
AHIS57

site_idCSA6
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
AASP102
ASER195
AHIS57
AGLY196

site_idCSA7
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
AASP102
ASER195
AGLY193
AHIS57

224004

PDB entries from 2024-08-21

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