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6X5L

Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues15
Detailsbinding site for residue UQG A 301
ChainResidue
AHIS56
ATRP220
AGLY221
AGLU223
ACYS224
AGLY231
AHOH416
ALYS100
ATYR101
AASP194
ASER195
ACYS196
AGLN197
ASER200
ASER219

site_idAC2
Number of Residues6
Detailsbinding site for residue NA A 302
ChainResidue
AGLU70
AASN72
AGLU75
AGLU77
AGLU80
AHOH484

site_idAC3
Number of Residues10
Detailsbinding site for residue CIT A 303
ChainResidue
AHIS103
ATYR180
AASN181
AASN182
AHIS189
AGLU190
ALYS227
AARG238
ACIT304
AHOH412

site_idAC4
Number of Residues8
Detailsbinding site for residue CIT A 304
ChainResidue
AASN181
AASN182
AHIS189
ALYS227
ACIT303
AHOH420
AHOH454
AHOH510

site_idAC5
Number of Residues12
Detailsbinding site for residue CIT A 305
ChainResidue
AHIS91
AHIS92
APHE188
AHIS189
AARG238
ATYR239
AASN241
ATRP242
AHOH401
AHOH424
AHOH437
AHOH438

site_idAC6
Number of Residues7
Detailsbinding site for residue CIT A 306
ChainResidue
AARG147
AHIS150
ALYS151
ACYS196
AGLN197
AGLU223
ACYS224

site_idAC7
Number of Residues5
Detailsbinding site for residue GOL A 307
ChainResidue
AASN99
ATYR101
APHE177
ATHR178
ATRP220

site_idAC8
Number of Residues7
Detailsbinding site for residue GOL A 308
ChainResidue
AASN93
AASN95
AILE98
AASN99
AASN102
AHIS103
AHOH413

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. VTAAHC
ChainResidueDetails
AVAL52-CYS57

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. DScqGDSGGPHV
ChainResidueDetails
AASP194-VAL205

site_idPS01186
Number of Residues16
DetailsEGF_2 EGF-like domain signature 2. CsCteGYrlaenqksC
ChainResidueDetails
BCYS109-CYS124

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsSITE: Cleavage; by factor XIa
ChainResidueDetails
ASER200
BARG145

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Charge relay system => ECO:0000269|PubMed:659613
ChainResidueDetails
AASP104

site_idSWS_FT_FI3
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:10467148, ECO:0000269|PubMed:20004170, ECO:0000269|PubMed:20080729, ECO:0000269|PubMed:20121197, ECO:0000269|PubMed:20121198, ECO:0007744|PDB:1RFN, ECO:0007744|PDB:2WPH, ECO:0007744|PDB:2WPI, ECO:0007744|PDB:2WPJ, ECO:0007744|PDB:2WPK, ECO:0007744|PDB:2WPM, ECO:0007744|PDB:3KCG, ECO:0007744|PDB:3LC3, ECO:0007744|PDB:3LC5
ChainResidueDetails
AGLU70
AGLU75
AGLU77
AASN72

site_idSWS_FT_FI4
Number of Residues1
DetailsBINDING: BINDING => ECO:0000269|PubMed:10467148, ECO:0000269|PubMed:20004170, ECO:0000269|PubMed:20080729, ECO:0000269|PubMed:20121197, ECO:0000269|PubMed:20121198, ECO:0007744|PDB:2WPH, ECO:0007744|PDB:2WPI, ECO:0007744|PDB:2WPJ, ECO:0007744|PDB:2WPK, ECO:0007744|PDB:2WPM, ECO:0007744|PDB:3KCG, ECO:0007744|PDB:3LC3, ECO:0007744|PDB:3LC5
ChainResidueDetails
AGLU80

221051

PDB entries from 2024-06-12

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