Structure of PDB 6t9x Chain D Binding Site BS01

Receptor Information

>6t9x Chain D (length=383) Species: 682795 (Granulicella mallensis MP5ACTX8)

AKILCVLYDDPITGYPKSYARADVPKIDHYPGGQTAPTPKQIDFTPGELL
GSVSGELGLRKYLEGLGHTLVVTSDKEGEDSVFERELPDAEIVISQPFWP
AYLTPERIAKAKKLKLAVTAGIGSDHVDLEAAIKNGITVAEVTYSNSISV
SEHVVMMILSLVRNYIPSYQWVIKGGWNIADCVERSYDLEAMHVGTVAAG
RIGLAVLKRLKPFDVKLHYFQRHRLPESVENELGLTYHPSVEDMVKVCDV
VTINAPLHPGTLDLFNDELISKMKRGAYLVNTARGKICNRDAVVRALESG
QLAGYAGDVWFPQPAPKDHPWRTMPHHGMTPHISGTSLSAQARYAAGTRE
ILECWFEERPIREEYLIVDGGKLAGTGAHSYTV

Ligand information

• Ligand ID: AZI
• InChI: InChI=1S/N3/c1-3-2/q-1
• InChIKey: IVRMZWNICZWHMI-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [N-]=[N+]=[N-]
• Formula: N3
• Name: AZIDE ION
• ChEMBL: CHEMBL79455
• PDB chain: 6t9x Chain D Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6t9x From the Amelioration of a NADP+-dependent Formate Dehydrogenase to the Discovery of a New Enzyme: Round Trip from Theory to Practice
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): P98 F99 I123 R285 H333
• Binding residue (residue number reindexed from 1): P97 F98 I122 R284 H332
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.17.1.9: formate dehydrogenase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0008863 formate dehydrogenase (NAD+) activity
• GO:0016491 oxidoreductase activity
• GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0051287 NAD binding

Biological Process

• GO:0042183 formate catabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6t9x, PDBe:6t9x, PDBj:6t9x
• PDBsum: 6t9x
• UniProt: G8NTI5