Structure of PDB 4xyb Chain B Binding Site BS02

Receptor Information

>4xyb Chain B (length=384) Species: 682795 (Granulicella mallensis MP5ACTX8)

AKVLCVLYDDPTSGYPPLYARNAIPKIERYPDGQTVPNPKHIDFVPGELL
GCVSGELGLRSYLEDLGHTFIVTSDKEGPNSVFEKELPDADIVISQPFWP
AYLTAERIAKAKKLKLALTAGIGSDHVDLNAAIKAGITVAEETFSNGICV
AEHAVMMILALVRNYLPSHKIAEEGGWNIADCVSRSYDLEGMHVGTVAAG
RIGLAVLRRLKPFDVKLHYTARHRSPRAIEDELGLTYHATAEEMAEVCDV
ISIHAPLYPATEHLFNAKVLNKMRHGSYLVNTARAEICDRDDIVRALESG
QLAGYAGDVWFPQPAPANHPWRNMPHNGMTPHMSGSSLSGQARYAAGTRE
ILECWFENRPIRDEYLIVSNGKLAGTGAKSYGVG

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: 4xyb Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4xyb Structural basis for double cofactor specificity in a new formate dehydrogenase from the acidobacterium Granulicella mallensis MP5ACTX8.
• Resolution: 1.38 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

• Catalytic site (original residue number in PDB): N147 R285 D309 Q314 H333
• Catalytic site (residue number reindexed from 1): N146 R284 D308 Q313 H332
• 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:0042183 formate catabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4xyb, PDBe:4xyb, PDBj:4xyb
• PDBsum: 4xyb
• PubMed: 26104866
• UniProt: G8NVB5