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6X5J

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 Residues4
Detailsbinding site for residue GOL A 301
ChainResidue
AASN99
ATYR101
ATHR178
ATRP220

site_idAC2
Number of Residues6
Detailsbinding site for residue GOL A 302
ChainResidue
AHOH403
AASN93
AASN95
AASN99
AASN102
AHIS103

site_idAC3
Number of Residues12
Detailsbinding site for residue 6NH A 303
ChainResidue
AHIS56
AASP194
ASER195
AGLN197
ASER200
ASER219
ATRP220
AGLY221
AGLU222
AGLY231
ACIT308
AHOH424

site_idAC4
Number of Residues5
Detailsbinding site for residue NA A 304
ChainResidue
AGLU70
AASN72
AGLU75
AGLU77
AGLU80

site_idAC5
Number of Residues10
Detailsbinding site for residue CIT A 305
ChainResidue
AHIS103
ATYR180
AASN181
AASN182
AHIS189
AGLU190
ALYS227
AARG238
ACIT306
AHOH407

site_idAC6
Number of Residues8
Detailsbinding site for residue CIT A 306
ChainResidue
AASN181
AASN182
AHIS189
ALYS227
ACIT305
AHOH402
AHOH405
AHOH491

site_idAC7
Number of Residues12
Detailsbinding site for residue CIT A 307
ChainResidue
AHIS91
AHIS92
AARG162
APHE188
AHIS189
AARG238
ATYR239
AASN241
ATRP242
AHOH415
AHOH427
AHOH458

site_idAC8
Number of Residues5
Detailsbinding site for residue CIT A 308
ChainResidue
ATYR101
ATRP220
AGLY221
AGLU222
A6NH303

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
BARG145
ASER200

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
AASN72
AGLU75
AGLU77

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

227111

PDB entries from 2024-11-06

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