1QJI

Structure of astacin with a transition-state analogue inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004222	molecular_function	metalloendopeptidase activity
A	0006508	biological_process	proteolysis
A	0008237	molecular_function	metallopeptidase activity
A	0008270	molecular_function	zinc ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A1201

Chain	Residue
A	HIS92
A	HIS96
A	HIS102
A	PKF1202

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site_id	AC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE PKF A1202

Chain	Residue
A	HIS92
A	GLU93
A	HIS96
A	HIS102
A	TYR149
A	SER153
A	ASP175
A	ZN1201
A	HOH2070
A	HOH2085
A	HOH2147
A	HOH2165
A	CYS64
A	TRP65
A	SER66
A	TYR67
A	GLY83

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Functional Information from PROSITE/UniProt

site_id	PS00142
Number of Residues	10
Details	ZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. TIIHELMHAI

Chain	Residue	Details
A	THR89-ILE98

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU01211, ECO:0000305|PubMed:1319561

Chain	Residue	Details
A	GLU93

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site_id	SWS_FT_FI2
Number of Residues	3
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01211, ECO:0000269|PubMed:1319561, ECO:0000269|PubMed:8756323

Chain	Residue	Details
A	HIS92
A	HIS96
A	HIS102

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Catalytic Information from CSA

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

Chain	Residue	Details
A	TYR149
A	GLU93

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site_id	MCSA1
Number of Residues	5
Details	M-CSA 403

Chain	Residue	Details
A	HIS92	metal ligand
A	GLU93	proton shuttle (general acid/base)
A	HIS96	metal ligand
A	HIS102	metal ligand
A	TYR149	transition state stabiliser

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