Structure of PDB 7vw6 Chain B Binding Site BS02

Receptor Information
>7vw6 Chain B (length=560) Species: 272630 (Methylorubrum extorquens AM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTVRSFAHPGRGRNVARAVPKGRQVDPHAKVEIEELLGTRPRQRDLLIEH
LHLIQDTYGQISADHLAALADEMSLAFAEVFETATFYAHFDVVKEGEADI
PRLTIRVCDSITCAMFGADELLETLQRELASDAVRVVRAPCVGLCDHAPA
VEVGHNFLHRADLASVRAAVEAEDTHAHIPTYVDYDAYRAGGGYATLERL
RSGELPVDDVLKVLDDGGLRGLGGAGFPTGRKWRSVRGEPGPRLMAVNGD
EGEPGTFKDQLYLNTDPHRFLEGMLIGAHVVEAADVYIYLRDEYPISREI
LAREIAKLPEGGTRIHLRRGAGAYICGEESSLIESLEGKRGLPRHKPPFP
FQVGLFNRPTLINNIETLFWVRDLIERGAEWWKSHGRNGRVGLRSYSVSG
RVKEPGVKLAPAGLTIQELIDEYCGGISDGHSFAAYLPGGASGGILPASM
NDIPLDFGTLEKYGCFIGSAAVVILSDQDDVRGAALNLMKFFEDESCGQC
TPCRSGTQKARMLMENGVWDTDLLGELAQCMRDASICGLGQAASNPVSTV
IKYFPDLFPE
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 chain7vw6 Chain B Residue 1602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7vw6 Multiple electron transfer pathways of tungsten-containing formate dehydrogenase in direct electron transfer-type bioelectrocatalysis.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		I1351 P1369 S1522 C1523 G1524 Q1525 C1526 C1529 I1562 C1563 L1565 G1566
Binding residue
(residue number reindexed from 1)		I325 P343 S496 C497 G498 Q499 C500 C503 I536 C537 L539 G540
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.1.2: Transferred entry: 1.17.1.9.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:1902600 proton transmembrane transport

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7vw6, PDBe:7vw6, PDBj:7vw6
PDBsum7vw6
PubMed35535582
UniProtC5ATT6

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