1C1V

RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES

Functional Information from GO Data

Chain	GOid	namespace	contents
H	0004252	molecular_function	serine-type endopeptidase activity
H	0005509	molecular_function	calcium ion binding
H	0006508	biological_process	proteolysis
H	0007596	biological_process	blood coagulation
L	0004252	molecular_function	serine-type endopeptidase activity
L	0005576	cellular_component	extracellular region
L	0006508	biological_process	proteolysis
L	0007596	biological_process	blood coagulation

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ZN H 254

Chain	Residue
H	HIS57
H	SER201
H	BAB410

---

site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ZN H 255

Chain	Residue
H	BAB410
H	HOH546

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA H 409

Chain	Residue
H	HOH452
H	HOH454
H	ARG227
H	LYS230
H	HOH428
H	HOH431

---

site_id	AC4
Number of Residues	13
Details	BINDING SITE FOR RESIDUE BAB H 410

Chain	Residue
H	LEU41
H	LYS60
H	ASP195
H	ALA196
H	GLU198
H	SER201
H	VAL219
H	TRP221
H	GLY222
H	GLY225
H	ZN254
H	ZN255
H	HOH545

---

site_id	AC5
Number of Residues	15
Details	BINDING SITE FOR CHAIN I OF PROTEIN (ACETYL HIRUDIN)

Chain	Residue
H	PHE34
H	LYS36
H	GLN38
H	LEU40
H	LEU65
H	ARG73
H	THR74
H	ARG75
H	TYR76
H	LYS81
H	ILE82
H	MET84
I	HOH499
I	HOH597
I	HOH790

---

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
H	LEU53-CYS58

---

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

Chain	Residue	Details
H	ASP195-VAL206

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	22
Details	Region: {"description":"High affinity receptor-binding region which is also known as the TP508 peptide"}

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	1
Details	Glycosylation: {"description":"N-linked (GlcNAc...) (complex) asparagine","evidences":[{"source":"PubMed","id":"16335952","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19139490","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19838169","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"873923","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
H	ASP102
H	HIS57

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
H	SER201
H	GLY202

---

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
H	GLY199
H	SER201

---

site_id	CSA4
Number of Residues	4
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
H	GLY199
H	ASP102
H	SER201
H	HIS57

---

site_id	CSA5
Number of Residues	3
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
H	ASP102
H	SER201
H	HIS57

---

site_id	CSA6
Number of Residues	4
Details	Annotated By Reference To The Literature 1a0j

Chain	Residue	Details
H	ASP102
H	SER201
H	HIS57
H	GLY202

---