1YPL

X-ray crystal structure of thrombin inhibited by synthetic cyanopeptide analogue RA-1008

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	6
Details	BINDING SITE FOR RESIDUE NA H 7777

Chain	Residue
H	ARG221
H	LYS224
H	HOH9048
H	HOH9053
H	HOH9096
H	HOH9100

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site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA H 7778

Chain	Residue
H	HOH9065
H	HOH9067
H	HOH9095
H	LYS169
H	THR172
H	PHE204

---

site_id	AC3
Number of Residues	18
Details	BINDING SITE FOR RESIDUE RA8 H 5555

Chain	Residue
H	HIS57
H	TYR60
H	TRP60
H	GLU97
H	LEU99
H	ILE174
H	ASP189
H	ALA190
H	SER195
H	SER214
H	TRP215
H	GLY216
H	GLU217
H	GLY219
H	GLY226
H	HOH9001
H	HOH9028
H	HOH9046

---

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL H 6666

Chain	Residue
H	ASN60
H	HOH9075

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site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL H 6667

Chain	Residue
H	ARG97
H	ASN205
H	HOH9041
L	LEU3
L	GLU8

---

site_id	AC6
Number of Residues	12
Details	BINDING SITE FOR CHAIN I OF HIRUDIN

Chain	Residue
H	PHE34
H	LEU65
H	ARG67
H	ARG73
H	THR74
H	TYR76
H	GLU80
H	LYS81
H	ILE82
H	HOH9019
I	HOH9111
I	HOH9160

---

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

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

Chain	Residue	Details
H	ASP189-VAL200

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	MOD_RES: Sulfotyrosine => ECO:0000269|PubMed:17685615, ECO:0000269|PubMed:8251938

Chain	Residue	Details
I	TYS9
H	ASP102
H	SER195

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	CARBOHYD: N-linked (GlcNAc...) (complex) asparagine => ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19139490, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:19838169, ECO:0000269|PubMed:873923

Chain	Residue	Details
H	ASN60

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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

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

Chain	Residue	Details
H	SER195
H	GLY196

---

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

Chain	Residue	Details
H	SER195
H	GLY193

---

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

Chain	Residue	Details
H	ASP102
H	SER195
H	GLY193
H	HIS57

---

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

Chain	Residue	Details
H	ASP102
H	SER195
H	HIS57

---

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

Chain	Residue	Details
H	ASP102
H	SER195
H	HIS57
H	GLY196

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