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6X0S

Structure of human plasma factor XIIa in complex with (2S)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(N,3-dicyclohexyl-D-alanyl)-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide (compound 7)

Functional Information from GO Data
ChainGOidnamespacecontents
A0004252molecular_functionserine-type endopeptidase activity
A0006508biological_processproteolysis
B0004252molecular_functionserine-type endopeptidase activity
B0006508biological_processproteolysis
C0004252molecular_functionserine-type endopeptidase activity
C0006508biological_processproteolysis
Functional Information from PDB Data
site_idAC1
Number of Residues14
Detailsbinding site for residue UJA A 701
ChainResidue
APHE396
ASER585
ATRP586
AGLY587
AGLY589
ACYS590
ACYS397
AHIS412
AVAL456
ATYR458
ACYS559
AGLN560
ASER563
AILE584

site_idAC2
Number of Residues6
Detailsbinding site for residue SO4 A 702
ChainResidue
AARG364
AARG381
BARG364
BARG381
CARG364
CARG381

site_idAC3
Number of Residues14
Detailsbinding site for residue UJA B 701
ChainResidue
BPHE396
BCYS397
BHIS412
BTYR458
BGLU510
BALA558
BCYS559
BGLN560
BSER563
BSER585
BTRP586
BGLY587
BGLY589
BCYS590

site_idAC4
Number of Residues13
Detailsbinding site for residue UJA C 701
ChainResidue
CPHE396
CCYS397
CHIS412
CVAL456
CTYR458
CCYS559
CGLN560
CSER563
CILE584
CSER585
CTRP586
CGLY587
CGLY589

Functional Information from PROSITE/UniProt
site_idPS00134
Number of Residues6
DetailsTRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC
ChainResidueDetails
ALEU408-CYS413

site_idPS00135
Number of Residues12
DetailsTRYPSIN_SER Serine proteases, trypsin family, serine active site. DAcqGDSGGPLV
ChainResidueDetails
AASP557-VAL568

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues9
DetailsACT_SITE: Charge relay system => ECO:0000250
ChainResidueDetails
AHIS412
AASP461
ASER563
BHIS412
BASP461
BSER563
CHIS412
CASP461
CSER563

site_idSWS_FT_FI2
Number of Residues3
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:14760718, ECO:0000269|PubMed:16335952
ChainResidueDetails
AASN433
BASN433
CASN433

222415

PDB entries from 2024-07-10

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