Structure of PDB 6c36 Chain A Binding Site BS03

Receptor Information

>6c36 Chain A (length=317) Species: 246196 (Mycolicibacterium smegmatis MC2 155)

TAPILLLDGASMWFRSYFGVPSSIKAPDGRPVNAVRGFIDAISTLVTREK
PRRLVVCRDDDWRPQWRVDLIPSYKAHRVAEPEPDGVPDIEEVPDDLTPQ
VNMILELLDAFGIPTAGAAGFEADDVLGTLSAREERDPVVVVSGDRDLLQ
LVRDEPAPQVRVLYLGRGLAKATKWGPAEVAEQYGVPLDRAGTAYAELAL
LRGDPSNGLPGVAGIGEKTAASLLAKHGSLQNILDAAHDPKSGLSKAHRT
KLLGAVDYIAAAETVVRVATDAPVTFSTPTDTLPLAAGDPARVAELAAAY
GVSSSISRLQTALDQLP

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: 6c36 Chain A Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6c36 Crystal structure and mutational analysis of Mycobacterium smegmatis FenA highlight active site amino acids and three metal ions essential for flap endonuclease and 5' exonuclease activities.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): K76 R79 D125 D146 N208
• Binding residue (residue number reindexed from 1): K75 R78 D124 D145 N207
• Annotation score: 3

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0003824 catalytic activity
• GO:0004527 exonuclease activity
• GO:0008409 5'-3' exonuclease activity
• GO:0016788 hydrolase activity, acting on ester bonds
• GO:0017108 5'-flap endonuclease activity
• GO:0046872 metal ion binding

Biological Process

• GO:0033567 DNA replication, Okazaki fragment processing

External links

• PDB: RCSB:6c36, PDBe:6c36, PDBj:6c36
• PDBsum: 6c36
• PubMed: 29635474
• UniProt: I7GAS0