Structure of PDB 6tg9 Chain B Binding Site BS02

Receptor Information
>6tg9 Chain B (length=493) Species: 1415161 (Rhodobacter capsulatus Y262) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIWLPCDAAAKACGAEAVLAALRLEAEKRGGALDIARNGSRGMIWLEPL
LEVETPAGRIGFGPMTPADVPALFDALESHPKALGLVEEIPFFKRQTRLT
FARCGRIEPLSLAQFAAAEGWAGLRKALKMTPAEVVEEVLASGLRGRGGA
GFPTGIKWRTVAAAQADQKYIVCNVDEGDSGSFADRMLIEGDPFCLVEGM
AIAGHAVGATRGYVYIRSEYPDAIAVMRAAIAMAKPFLAEAGFEMEVRVG
AGAYVCGEETSLLNSLEGKRGTVRAKPPLPALKGLFGKPTVVNNLLSLAA
VPWIIAHGAKAYESFGMDRSRGTIPLQIGGNVKRGGLFETGFGITLGELV
EDICGGTASGRPVKAVQVGGPLGAYHPVSDYHLPFCYEQFAGQGGLVGHA
GLVVHDDTADMLKLARFAMEFCAIESCGTCTPCRIGAVRGVEVIDRIAAG
DASAMPLLDDLCQTMKLGSLCALGGFTPYPVQSAIRHFPADFP
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6tg9 Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tg9 Cryo-EM structures reveal intricate Fe-S cluster arrangement and charging in Rhodobacter capsulatus formate dehydrogenase.
Resolution3.24 Å
Binding residue
(original residue number in PDB)		S426 C427 G428 T429 C430 C433 L470 C471 G474
Binding residue
(residue number reindexed from 1)		S426 C427 G428 T429 C430 C433 L470 C471 G474
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.1.2: Transferred entry: 1.17.1.9.
Gene Ontology
Molecular Function
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:1902600 proton transmembrane transport

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Molecular Function
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Biological Process
External links
PDB RCSB:6tg9, PDBe:6tg9, PDBj:6tg9
PDBsum6tg9
PubMed32313256
UniProtD5AQH1

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