6G2L

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

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	EJ8303
A	HOH414
A	HOH432

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site_id	AC2
Number of Residues	3
Details	binding site for residue BME A 302

Chain	Residue
A	CYS197
A	GLN200
A	HOH571

---

site_id	AC3
Number of Residues	25
Details	binding site for residue EJ8 A 303

Chain	Residue
A	ASP41
A	ASP43
A	PHE49
A	PHE75
A	TRP76
A	VAL77
A	TRP96
A	THR130
A	SER131
A	ILE133
A	LYS134
A	ARG163
A	LYS165
A	MG301
A	HOH414
A	HOH416
A	HOH418
A	HOH425
A	HOH432
A	HOH435
A	HOH448
A	HOH469
A	HOH483
A	HOH522
A	HOH641

---

site_id	AC4
Number of Residues	9
Details	binding site for residue GOL A 304

Chain	Residue
A	SER27
A	ASN28
A	ALA119
A	THR124
A	ASP125
A	VAL126
A	GLN158
A	HOH403
A	HOH577

---

site_id	AC5
Number of Residues	6
Details	binding site for residue GOL A 305

Chain	Residue
A	ARG37
A	ALA170
A	ASP171
A	SER188
A	HOH402
A	HOH502

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"15044615","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1Q91","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"15044615","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1Q91","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12352955","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16004879","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1Z4L","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16004879","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1Z4J","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16004879","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1Z4M","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16004879","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1Z4L","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12352955","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16004879","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1Z4K","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

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

---