Structure of PDB 4ko1 Chain T Binding Site BS05

Receptor Information

>4ko1 Chain T (length=279) Species: 899 (Desulfomicrobium baculatum)

AKKAPVIWVQGQGCTGCSVSLLNAVHPRIKEILLDVISLEFHPTVMASEG
EMALAHMYEIAEKFNGNFFLLVEGAIPTAKEGRYCIVGETLDAKGHHHEV
TMMELIRDLAPKSLATVAVGTCSAYGGIPAAEGNVTGSKSVRDFFADEKI
EKLLVNVPGCPPHPDWMVGTLVAAWSHVLNPTEHPLPELDDDGRPLLFFG
DNIHENCPYLDKYDNSEFAETFTKPGCKAELGCKGPSTYADCAKRRWNNG
INWCVENAVCIGCVEPDFPDGKSPFYVAE

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 4ko1 Chain T Residue 306

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ko1 Structural foundations for the O2 resistance of Desulfomicrobium baculatum [NiFeSe]-hydrogenase.
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): D195 D196
• Binding residue (residue number reindexed from 1): D191 D192
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.12.99.6: hydrogenase (acceptor).

Gene Ontology

Molecular Function

• GO:0008901 ferredoxin hydrogenase activity
• GO:0009055 electron transfer activity
• GO:0016491 oxidoreductase activity
• GO:0033748 hydrogenase (acceptor) activity
• GO:0046872 metal ion binding
• GO:0051536 iron-sulfur cluster binding
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0009061 anaerobic respiration

Cellular Component

• GO:0009375 ferredoxin hydrogenase complex
• GO:0016020 membrane
• GO:0042597 periplasmic space
• GO:0044569 [Ni-Fe] hydrogenase complex

External links

• PDB: RCSB:4ko1, PDBe:4ko1, PDBj:4ko1
• PDBsum: 4ko1
• PubMed: 23811828
• UniProt: P13063|PHSS_DESBA Periplasmic [NiFeSe] hydrogenase small subunit