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1D6W

STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTROPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0005509molecular_functioncalcium ion binding
A0005576cellular_componentextracellular region
A0006508biological_processproteolysis
A0007596biological_processblood coagulation
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA A 950
ChainResidue
ALYS169
ATHR172
APHE204
AHOH494
AHOH497

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA A 951
ChainResidue
AHOH530
AARG221
ALYS224
AHOH459
AHOH460

site_idAC3
Number of Residues16
DetailsBINDING SITE FOR RESIDUE 00R A 380
ChainResidue
AHIS57
ATYR60
ATRP60
AGLU97
ALEU99
AILE174
AASP189
ASER195
ASER214
ATRP215
AGLY216
AGLU217
AGLY219
ATYR225
AGLY226
AHOH426

site_idAC4
Number of Residues12
DetailsBINDING SITE FOR CHAIN I OF DECAPEPTIDE INHIBITOR
ChainResidue
APHE34
AGLN38
ALEU65
AARG73
ATHR74
AARG75
AARG75
ATYR76
AILE82
AGLN151
AHOH473
IHOH499

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. DAceGDSGGPFV
ChainResidueDetails
AASP189-VAL200

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsMOD_RES: Sulfotyrosine => ECO:0000269|PubMed:17685615, ECO:0000269|PubMed:8251938
ChainResidueDetails
ITYS363
AASP102
ASER195

site_idSWS_FT_FI2
Number of Residues1
DetailsSITE: Cleavage; by factor Xa => ECO:0000269|PubMed:34265300
ChainResidueDetails
AARG14

site_idSWS_FT_FI3
Number of Residues1
DetailsCARBOHYD: N-linked (GlcNAc...) (complex) asparagine => ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19139490, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:19838169, ECO:0000269|PubMed:873923
ChainResidueDetails
AASN60

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

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
AASP102
ASER195
AHIS57

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

222036

PDB entries from 2024-07-03

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