Structure of PDB 4mum Chain A Binding Site BS02

Receptor Information

>4mum Chain A (length=198) Species: 9606 (Homo sapiens)

SNRALRVLVDMDGVLADFEGGFLRKFRARFPDQPFIALEDRRGFWVSEQY
GRLRPGLSEKAISIWESKNFFFELEPLPGAVEAVKEMASLQNTDVFICTS
PIKMFKYCPYEKYAWVEKYFGPDFLEQIVLTRDKTVVSADLLIDDRPDIT
GTGAEPTPSWEHVLFTACHNQHLQLQPPRRRLHSWADDWKAILDSKRP

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 4mum Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4mum Kinetic and structural characterization of an alternatively spliced variant of human mitochondrial 5'(3')-deoxyribonucleotidase.
• Resolution: 1.271 Å
• Binding residue (original residue number in PDB): D41 M42 D43 T130 S131 K165
• Binding residue (residue number reindexed from 1): D10 M11 D12 T99 S100 K134
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D41 D43 D176
• Catalytic site (residue number reindexed from 1): D10 D12 D145
• Enzyme Commision number: 3.1.3.-

Gene Ontology

Molecular Function

• GO:0008253 5'-nucleotidase activity

Biological Process

• GO:0009264 deoxyribonucleotide catabolic process

External links

• PDB: RCSB:4mum, PDBe:4mum, PDBj:4mum
• PDBsum: 4mum
• PubMed: 24506201
• UniProt: Q9NPB1|NT5M_HUMAN 5'(3')-deoxyribonucleotidase, mitochondrial (Gene Name=NT5M)