6G22

Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PEU

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	6
Details	binding site for residue MG A 301

Chain	Residue
A	ASP41
A	ASP43
A	ASP176
A	2O2305
A	HOH437
A	HOH444

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site_id	AC2
Number of Residues	2
Details	binding site for residue BME A 302

Chain	Residue
A	CYS197
A	GLN200

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site_id	AC3
Number of Residues	6
Details	binding site for residue GOL A 303

Chain	Residue
A	ARG177
A	PRO178
A	ASP179
A	HOH462
A	HOH609
A	TRP76

---

site_id	AC4
Number of Residues	8
Details	binding site for residue GOL A 304

Chain	Residue
A	ALA119
A	SER120
A	LEU121
A	ASN123
A	THR124
A	HOH438
A	HOH478
A	HOH523

---

site_id	AC5
Number of Residues	23
Details	binding site for residue 2O2 A 305

Chain	Residue
A	ASP41
A	ASP43
A	PHE49
A	PHE75
A	TRP76
A	VAL77
A	TRP96
A	SER131
A	ILE133
A	LYS134
A	ARG163
A	MG301
A	HOH402
A	HOH413
A	HOH420
A	HOH422
A	HOH429
A	HOH437
A	HOH441
A	HOH444
A	HOH500
A	HOH506
A	HOH534

---

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

---

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

Chain

Residue

Details

---

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	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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