1Q91

Crystal structure of human mitochondrial deoxyribonucleotidase in complex with the inhibitor DPB-T

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008253	molecular_function	5'-nucleotidase activity
A	0009264	biological_process	deoxyribonucleotide catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE PO4 A 1228

Chain	Residue
A	DPB1
A	HOH459
A	MG1003
A	HOH8
A	ASP41
A	MET42
A	ASP43
A	THR130
A	SER131
A	LYS165
A	HOH409

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site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 1003

Chain	Residue
A	ASP41
A	ASP43
A	ASP176
A	HOH409
A	HOH512
A	PO41228

---

site_id	AC3
Number of Residues	19
Details	BINDING SITE FOR RESIDUE DPB A 1

Chain	Residue
A	PHE49
A	PHE75
A	TRP76
A	VAL77
A	TRP96
A	SER131
A	PRO132
A	ILE133
A	LYS134
A	ARG163
A	HOH324
A	HOH342
A	HOH459
A	HOH511
A	HOH512
A	HOH516
A	HOH534
A	HOH579
A	PO41228

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Nucleophile"}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Proton donor","evidences":[{"evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12352955","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI4
Number of Residues	8
Details	Binding site: {}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	a catalytic site defined by CSA, PubMed 12352955

Chain	Residue	Details
A	ASP43

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site_id	MCSA1
Number of Residues	3
Details	M-CSA 812

Chain	Residue	Details
A	ASP41	covalently attached, metal ligand, nucleofuge, nucleophile
A	ASP43	metal ligand
A	ASP176	metal ligand

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