Structure of PDB 4l6a Chain A Binding Site BS02

Receptor Information

>4l6a Chain A (length=201) Species: 9606 (Homo sapiens)

SNAASGGRALRVLVDMDGVLADFEGGFLRKFRARFPDQPFIALEDRRGFW
VSEQYGRLRPGLSEKAISIWESKNFFFELEPLPGAVEAVKEMASLQNTDV
FICTSPIKMFKYCPYEKYAWVEKYFGPDFLEQIVLTRDKTVVSADLLIDD
RPDITGAEPTPSWEHVLFTACHNQHLQLQPPRRRLHSWADDWKAILDSKR
P

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: 4l6a Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4l6a Structures of human cytosolic and mitochondrial nucleotidases: implications for structure-based design of selective inhibitors.
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): D41 M42 D43 T130 S131 K165
• Binding residue (residue number reindexed from 1): D15 M16 D17 T104 S105 K139
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D41 D43 D176
• Catalytic site (residue number reindexed from 1): D15 D17 D150
• 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:4l6a, PDBe:4l6a, PDBj:4l6a
• PDBsum: 4l6a
• PubMed: 24531480
• UniProt: Q9NPB1|NT5M_HUMAN 5'(3')-deoxyribonucleotidase, mitochondrial (Gene Name=NT5M)