Structure of PDB 7t2r Chain B Binding Site BS01

Receptor Information

>7t2r Chain B (length=425) Species: 97477 (Acetomicrobium mobile)

SKQHRIVLSNCGYIDPEKIEEYIARDGYMALGKALLEMTPEEVLEEVKKS
GLRGRGGAGFPTGLKWEFAKKASGDKKYVICNADEGDPGAFMDRSTLEGD
PHSVIEGMTIGAYVIGADEGYIYCRAEYPLAIKRLKIAIAQAEEMGLLGD
HIMGTNFSFHLHLKEGAGAFVCGEETALMASIEGRRGMPRPRPPFPAQHG
LWGKPTNINNVETWANVPRIILNGADWFASMGTEKSKGTKIFALTGKITN
TGLIEVPMGITIREIIYELGGGILNGKEFKAVQIGGPSGGCLTKEHLDLP
IDYESLTAAGAIMGSGGLVVMDEDTCMVDVAKFFLEFTQRESCGKCVPCR
EGTKQMLLMLQKICNGEGTMDDLSKLEELAHMVKETSLCGLGQTAPNPVI
TTIRYFRDEYVAHIKDKRCPAKICP

Ligand information

• Ligand ID: SF4
• InChI: InChI=1S/4Fe.4S
• InChIKey: LJBDFODJNLIPKO-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
  CACTVS 3.385: S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
• Formula: Fe4 S4
• Name: IRON/SULFUR CLUSTER
• PDB chain: 7t2r Chain B Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7t2r Structure and electron transfer pathways of an electron-bifurcating NiFe-hydrogenase.
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): P301 C455 G456 C458 C461 C501 G504
• Binding residue (residue number reindexed from 1): P189 C343 G344 C346 C349 C389 G392
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0008137 NADH dehydrogenase (ubiquinone) activity
• GO:0010181 FMN binding
• GO:0046872 metal ion binding
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:1902600 proton transmembrane transport

External links

• PDB: RCSB:7t2r, PDBe:7t2r, PDBj:7t2r
• PDBsum: 7t2r
• PubMed: 35213221
• UniProt: I4BYB5