1A61

THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR

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	5
Details	BINDING SITE FOR RESIDUE NA H 650

Chain	Residue
H	ARG221
H	LYS224
H	HOH429
H	HOH476
H	HOH561

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site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA H 651

Chain	Residue
H	THR172
H	PHE204
H	HOH558
H	HOH559
H	HOH560
H	LYS169

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site_id	AC3
Number of Residues	17
Details	BINDING SITE FOR RESIDUE 00N H 372

Chain	Residue
H	HIS57
H	TYR60
H	TRP60
H	LYS60
H	GLU97
H	ASP189
H	ALA190
H	GLY193
H	ASP194
H	SER195
H	SER214
H	TRP215
H	GLY216
H	GLY219
H	GLY226
H	HOH401
H	HOH435

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site_id	AC4
Number of Residues	20
Details	BINDING SITE FOR CHAIN I OF HIRUGEN

Chain	Residue
H	PHE34
H	LYS36
H	LEU65
H	ARG73
H	THR74
H	ARG75
H	ARG75
H	TYR76
H	GLU80
H	LYS81
H	ILE82
H	MET84
H	SER153
H	HOH482
I	HOH454
I	HOH474
I	HOH488
I	HOH492
I	HOH523
I	HOH538

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site_id	CAT
Number of Residues	3
Details

Chain	Residue
H	HIS57
H	ASP102
H	SER195

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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:3513162

Chain	Residue	Details
I	TYS363
H	ASP102
H	SER195

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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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