Structure of PDB 7xqw Chain A Binding Site BS05

Receptor Information
>7xqw Chain A (length=790) 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
EGAVTYPVDAPDQPGNEIIFYAGFPTESGRAKIVPAAIVP
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 chain7xqw Chain A Residue 1006 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7xqw Enzymatic conversion of CO2 in real flue gas to molar-scale formate
Resolution2.83 Å
Binding residue
(original residue number in PDB)		M206 C223 N229 I232 M251 C256 V257 A258 C259 G260 C262
Binding residue
(residue number reindexed from 1)		M138 C155 N161 I164 M183 C188 V189 A190 C191 G192 C194
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

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7xqw, PDBe:7xqw, PDBj:7xqw
PDBsum7xqw
PubMed
UniProtC5ATT7

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