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1QHR

NOVEL COVALENT ACTIVE SITE THROMBIN INHIBITORS

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0005576cellular_componentextracellular region
A0006508biological_processproteolysis
A0007596biological_processblood coagulation
B0004252molecular_functionserine-type endopeptidase activity
B0005509molecular_functioncalcium ion binding
B0006508biological_processproteolysis
B0007596biological_processblood coagulation
Functional Information from PDB Data
site_idAC1
Number of Residues18
DetailsBINDING SITE FOR RESIDUE 157 B 500
ChainResidue
BGLU192
BGLY193
BASP194
BSER195
BVAL213
BTRP215
BGLY216
BGLY219
BGLY226
BHOH581
BHOH644
BHOH646
BHIS57
BTRP60
BTRP148
BASP189
BALA190
BCYS191

site_idAC2
Number of Residues17
DetailsBINDING SITE FOR CHAIN I OF HIRUGEN
ChainResidue
BPHE34
BLYS36
BGLN38
BLEU65
BARG73
BTHR74
BARG75
BARG75
BTYR76
BLYS81
BILE82
BMET84
BSER153
BHOH527
IHOH444
IHOH445
IHOH487

site_idNUL
Number of Residues3
DetailsCATALYTIC TRIAD OF SERINE PROTEINASES.
ChainResidue
BHIS57
BASP102
BSER195

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC
ChainResidueDetails
BLEU53-CYS58

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. DAceGDSGGPFV
ChainResidueDetails
BASP189-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
ITYS63
BASP102
BSER195

site_idSWS_FT_FI2
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
BASN60

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
BASP102
BHIS57

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
BSER195
BGLY196

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
BSER195
BGLY193

site_idCSA4
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
BASP102
BSER195
BGLY193
BHIS57

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
BASP102
BSER195
BHIS57

site_idCSA6
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
BASP102
BSER195
BHIS57
BGLY196

222036

PDB entries from 2024-07-03

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