3BG8

Crystal structure of Factor XIa in complex with Clavatadine A

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004252	molecular_function	serine-type endopeptidase activity
A	0006508	biological_process	proteolysis

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 1

Chain	Residue
A	HIS413
A	LYS554
A	GLY555
A	SER557
A	G0R612
A	BEN613
A	HOH702
A	HOH812

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 608

Chain	Residue
A	TRP599
A	HOH662
A	HOH700
A	HOH775
A	HOH853
A	HIS451

---

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 609

Chain	Residue
A	LYS486
A	ARG489
A	HOH856

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 610

Chain	Residue
A	ASN473
A	TYR503
A	ARG507
A	LYS509
A	LYS554
A	HOH829

---

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 611

Chain	Residue
A	THR374
A	ALA375
A	GLN406
A	GLN446
A	LYS467
A	ARG504
A	HOH720
A	HOH722

---

site_id	AC6
Number of Residues	16
Details	BINDING SITE FOR RESIDUE G0R A 612

Chain	Residue
A	SO41
A	HIS413
A	ASP551
A	ALA552
A	CYS553
A	LYS554
A	GLY555
A	ASP556
A	SER557
A	TRP577
A	GLY578
A	GLY580
A	GLY588
A	HOH629
A	HOH671
A	HOH766

---

site_id	AC7
Number of Residues	13
Details	BINDING SITE FOR RESIDUE BEN A 613

Chain	Residue
A	SO41
A	ASP551
A	ALA552
A	CYS553
A	LYS554
A	SER557
A	THR575
A	SER576
A	TRP577
A	GLY580
A	GLY588
A	HOH629
A	HOH744

---

Functional Information from PROSITE/UniProt

site_id	PS00134
Number of Residues	6
Details	TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC

Chain	Residue	Details
A	LEU409-CYS414

---

site_id	PS00135
Number of Residues	12
Details	TRYPSIN_SER Serine proteases, trypsin family, serine active site. DAckGDSGGPLS

Chain	Residue	Details
A	ASP551-SER562

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	235
Details	Domain: {"description":"Peptidase S1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00274","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	Active site: {"description":"Charge relay system"}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Glycosylation: {"description":"N-linked (GlcNAc...) (complex) asparagine","evidences":[{"source":"PubMed","id":"16335952","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25092234","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Glycosylation: {"description":"N-linked (GlcNAc...) (complex) asparagine","evidences":[{"source":"PubMed","id":"16335952","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"1998667","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25092234","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
A	ASP462
A	SER557
A	HIS413

---

site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
A	ASP462
A	SER557
A	HIS413
A	GLY558

---

site_id	CSA3
Number of Residues	4
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
A	GLY555
A	ASP462
A	SER557
A	HIS413

---

site_id	CSA4
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
A	ASP462
A	HIS413

---

site_id	CSA5
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
A	GLY555
A	SER557

---

site_id	CSA6
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
A	SER557
A	GLY558

---