Structure of PDB 7vw6 Chain A Binding Site BS01

Receptor Information
>7vw6 Chain A (length=913) Species: 272630 (Methylorubrum extorquens AM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TIAFEFDGQQVEAQPGETIWAVAKRLGTHIPHLCHKPDPGYRPDGNCRAC
MVEIEGERVLAASCKRTPAIGMKVKSATERATKARAMVLELLVADQPERA
TSHDPSSHFWVQADVLDVTESRFPAAERWTSDVSHPAMSVNLDACIQCNL
CVRACREVQVNDVIGMAYRAAGSKVVFDFDDPMGGSTCVACGECVQACPT
GALMPAAYLDANQTRTVYPDREVKSLCPYCGVGCQVSYKVKDERIVYAEG
VNGPANQNRLCVKGRFGFDYVHHPHRLTVPLIRLENVPKDANDQVDPANP
WTHFREATWEEALDRAAGGLKAIRDTNGRKALAGFGSAKGSNEEAYLFQK
LVRLGFGTNNVDHCTRLCHASSVAALMEGLNSGAVTAPFSAALDAEVIVV
IGANPTVNHPVAATFLKNAVKQRGAKLIIMDPRRQTLSRHAYRHLAFRPG
SDVAMLNAMLNVIVTEGLYDEQYIAGYTENFEALREKIVDFTPEKMASVC
GIDAETLREVARLYARAKSSLIFWGMGVSQHVHGTDNSRCLIALALITGQ
IGRPGTGLHPLRGQNNVQGASDAGLIPMVYPDYQSVEKDAVRELFEEFWG
QSLDPQKGLTVVEIMRAIHAGEIRGMFVEGENPAMSDPDLNHARHALAML
DHLVVQDLFLTETAFHADVVLPASAFAEKAGTFTNTDRRVQIAQPVVAPP
GDARQDWWIIQELARRLDLDWNYGGPADIFAEMAQVMPSLNNITWERLER
EGAVTYPVDAPDQPGNEIIFYAGFPTESGRAKIVPAAIVPPDEVPDDEFP
MVLSTGRVLEHWHTGSMTRRAGVLDALEPEAVAFMAPKELYRLGLRPGGS
MRLETRRGAVVLKVRSDRDVPIGMIFMPFCYAEAAANLLTNPALDPLGKI
PEFKFCAARVVPA
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 A Residue 1001 [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)		C213 I214 Q215 C216 N217 C219 V243 C266 P267 T268 A270 L271
Binding residue
(residue number reindexed from 1)		C145 I146 Q147 C148 N149 C151 V175 C198 P199 T200 A202 L203
Annotation score1
Enzymatic activity
Enzyme Commision number 1.17.1.9: formate dehydrogenase.
Gene Ontology
Molecular Function
GO:0008863 formate dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0015942 formate metabolic process
GO:0045333 cellular respiration
Cellular Component
GO:1990204 oxidoreductase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7vw6, PDBe:7vw6, PDBj:7vw6
PDBsum7vw6
PubMed35535582
UniProtC5ATT7

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