Structure of PDB 6d4b Chain A Binding Site BS02

Receptor Information

>6d4b Chain A (length=361) Species: 5477 ([Candida] boidinii)

MKIVLVLYDAGKHAADEEKLYGCTENKLGIANWLKDQGHELITTSDKEGG
NSVLDQHIPDADIIITTPFHPAYITKERIDKAKKLKLVVVAGVGSDHIDL
DYINQTGKKISVLEVTGSNVVSAAEHVLMTMLVLVRNFVPAHEQIINHDW
EVAAIAKDAYDIEGKTIATIGAGRIGYRVLERLVPFNPKELLYYDYQALP
KDAEEKVGARRVENIEELVAQADIVTINAPLHAGTKGLINKELLSKFKKG
AWLVNTARGAICVAEDVAAALESGQLRGYGGDVWFPQPAPKDHPWRDMRN
KYGAGNAMTPHYSGTTLDAQTRYAEGTKNILESFFTGKFDYRPQDIILLN
GEYITKAYGKH

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: 6d4b Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6d4b Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase
• Resolution: 1.45 Å
• Binding residue (original residue number in PDB): P68 F69 V93 R258 H311
• Binding residue (residue number reindexed from 1): P68 F69 V93 R258 H311
• 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:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0051287 NAD binding

Biological Process

• GO:0019752 carboxylic acid metabolic process
• GO:0042183 formate catabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:6d4b, PDBe:6d4b, PDBj:6d4b
• PDBsum: 6d4b
• UniProt: A0A0A1EQY0