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1HBT

Human alpha-thrombin complexed with a peptidyl pyridinium methyl ketone containing bivalent inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
H0004252molecular_functionserine-type endopeptidase activity
H0005509molecular_functioncalcium ion binding
H0006508biological_processproteolysis
H0007596biological_processblood coagulation
L0004252molecular_functionserine-type endopeptidase activity
L0005576cellular_componentextracellular region
L0006508biological_processproteolysis
L0007596biological_processblood coagulation
Functional Information from PDB Data
site_idAC1
Number of Residues34
DetailsBINDING SITE FOR CHAIN I OF P596 INHIBITOR PEPTIDE
ChainResidue
HTYR60
HLEU65
HARG73
HTHR74
HTYR76
HILE82
HMET84
HGLU97
HGLN151
HASP189
HALA190
HGLU192
HGLY193
HASP194
HSER195
HSER214
HTRP215
HGLY216
HGLY219
HGLY226
HHOH1029
HHOH1035
HHOH1036
HHOH1110
IHOH1008
IHOH1053
IHOH1060
IHOH1079
IHOH1150
HPHE34
HGLN38
HLEU40
HLEU41
HHIS57

site_idTET
Number of Residues1
DetailsCOVALENT LINK BETWEEN INHIBITOR AND THROMBIN
ChainResidue
HSER195

site_idTRI
Number of Residues3
DetailsCATALYTIC TRIAD
ChainResidue
HHIS57
HASP102
HSER195

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC
ChainResidueDetails
HLEU53-CYS58

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. DAceGDSGGPFV
ChainResidueDetails
HASP189-VAL200

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues3
DetailsACT_SITE: Charge relay system
ChainResidueDetails
HHIS57
HASP102
HSER195

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
HASN60

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
HASP102
HHIS57

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
HSER195
HGLY196

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
HSER195
HGLY193

site_idCSA4
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
HASP102
HSER195
HGLY193
HHIS57

site_idCSA5
Number of Residues3
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
HASP102
HSER195
HHIS57

site_idCSA6
Number of Residues4
DetailsAnnotated By Reference To The Literature 1a0j
ChainResidueDetails
HASP102
HSER195
HHIS57
HGLY196

223532

PDB entries from 2024-08-07

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