Structure of PDB 7xqw Chain A Binding Site BS03

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 IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7xqw Chain A Residue 1004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7xqw Enzymatic conversion of CO2 in real flue gas to molar-scale formate
Resolution2.83 Å
Binding residue
(original residue number in PDB)		H100 L101 C102 H103 D112 G113 C115 C118 C132
Binding residue
(residue number reindexed from 1)		H32 L33 C34 H35 D44 G45 C47 C50 C64
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7xqw, PDBe:7xqw, PDBj:7xqw
PDBsum7xqw
PubMed
UniProtC5ATT7

[Back to BioLiP]