9TI2

Crystal structure of the zinc-containing Phosphotriesterase dPTE2-H55(pi)MH

Functional Information from PROSITE/UniProt

site_id	PS01322
Number of Residues	9
Details	PHOSPHOTRIESTERASE_1 Phosphotriesterase family signature 1. GfTLmHEHI

Chain	Residue	Details
A	GLY27-ILE35

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	30
Details	Binding site: {"evidences":[{"source":"PubMed","id":"7794910","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DPM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1EYW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1EZ2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HZY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O4M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O4Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OB3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OQL","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	6
Details	Binding site: {"description":"via carbamate group","evidences":[{"source":"PubMed","id":"7794910","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DPM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1EYW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1EZ2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HZY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O4M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O4Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OB3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OQL","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	6
Details	Modified residue: {"description":"N6-carboxylysine","evidences":[{"source":"PROSITE-ProRule","id":"PRU00679","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"7794910","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DPM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1EYW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1EZ2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1HZY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O4M","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2O4Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OB3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2OQL","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	8
Details	M-CSA 159

Chain	Residue	Details
A	CYS36	metal ligand
A	SER38	metal ligand
A	THR150	metal ligand
A	GLY186	metal ligand
A	ASP215	metal ligand
A	THR218	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	LEU239	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
A	TYR286	hydrogen bond acceptor, hydrogen bond donor, metal ligand, proton acceptor, proton donor

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site_id	MCSA2
Number of Residues	8
Details	M-CSA 159

Chain	Residue	Details
B	CYS36	metal ligand
B	SER38	metal ligand
B	THR150	metal ligand
B	GLY186	metal ligand
B	ASP215	metal ligand
B	THR218	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	LEU239	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
B	TYR286	hydrogen bond acceptor, hydrogen bond donor, metal ligand, proton acceptor, proton donor

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site_id	MCSA3
Number of Residues	8
Details	M-CSA 159

Chain	Residue	Details
C	CYS36	metal ligand
C	SER38	metal ligand
C	THR150	metal ligand
C	GLY186	metal ligand
C	ASP215	metal ligand
C	THR218	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	LEU239	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
C	TYR286	hydrogen bond acceptor, hydrogen bond donor, metal ligand, proton acceptor, proton donor

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site_id	MCSA4
Number of Residues	8
Details	M-CSA 159

Chain	Residue	Details
D	CYS36	metal ligand
D	SER38	metal ligand
D	THR150	metal ligand
D	GLY186	metal ligand
D	ASP215	metal ligand
D	THR218	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	LEU239	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
D	TYR286	hydrogen bond acceptor, hydrogen bond donor, metal ligand, proton acceptor, proton donor

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site_id	MCSA5
Number of Residues	8
Details	M-CSA 159

Chain	Residue	Details
E	CYS36	metal ligand
E	SER38	metal ligand
E	THR150	metal ligand
E	GLY186	metal ligand
E	ASP215	metal ligand
E	THR218	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
E	LEU239	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
E	TYR286	hydrogen bond acceptor, hydrogen bond donor, metal ligand, proton acceptor, proton donor

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site_id	MCSA6
Number of Residues	8
Details	M-CSA 159

Chain	Residue	Details
F	CYS36	metal ligand
F	SER38	metal ligand
F	THR150	metal ligand
F	GLY186	metal ligand
F	ASP215	metal ligand
F	THR218	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
F	LEU239	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, proton relay
F	TYR286	hydrogen bond acceptor, hydrogen bond donor, metal ligand, proton acceptor, proton donor

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