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6EO9

Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor

Replaces:  4NZE
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 Residues4
Detailsbinding site for residue DMS H 301
ChainResidue
HSER20
HASN159
HLYS186
LTHR14

site_idAC2
Number of Residues5
Detailsbinding site for residue DMS H 302
ChainResidue
HASP100
HTHR177
HTHR177
HASP178
HASN179

site_idAC3
Number of Residues4
Detailsbinding site for residue DMS H 303
ChainResidue
HARG101
HARG233
HARG233
HLEU234

site_idAC4
Number of Residues5
Detailsbinding site for residue DMS H 304
ChainResidue
HLEU130
HILE162
HARG165
HPHE181
HHOH445

site_idAC5
Number of Residues5
Detailsbinding site for residue DMS H 305
ChainResidue
HSER129
HTYR134
HARG173
HPHE204
LTYR14

site_idAC6
Number of Residues6
Detailsbinding site for residue DMS H 306
ChainResidue
HHIS57
HTRP60
HLEU99
HSER214
H2OJ307
HHOH401

site_idAC7
Number of Residues16
Detailsbinding site for residue 2OJ H 307
ChainResidue
HTYR60
HGLU97
HILE174
HASP189
HALA190
HGLU192
HVAL213
HTRP215
HGLY216
HGLU217
HGLY219
HGLY226
HPHE227
HTYR228
HDMS306
HHOH491

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 Residues1
DetailsMOD_RES: Sulfotyrosine => ECO:0000269|PubMed:3513162
ChainResidueDetails
ITYS63
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

217705

PDB entries from 2024-03-27

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