Structure of PDB 7xqw Chain B Binding Site BS02

Receptor Information
>7xqw Chain B (length=541) Species: 272630 (Methylorubrum extorquens AM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVPKGRQVDPHAKVEIEELLGTRPRQRDLLIEHLHLIQDTYGQISADHLA
ALADEMSLAFAEVFETATFYAHFDVVKEGEADIPRLTIRVCDSITCAMFG
ADELLETLQRELASDAVRVVRAPCVGLCDHAPAVEVGHNFLHRADLASVR
AAVEAEDTHAHIPTYVDYDAYRAGGGYATLERLRSGELPVDDVLKVLDDG
GLRGLGGAGFPTGRKWRSVRGEPGPRLMAVNGDEGEPGTFKDQLYLNTDP
HRFLEGMLIGAHVVEAADVYIYLRDEYPISREILAREIAKLPEGGTRIHL
RRGAGAYICGEESSLIESLEGKRGLPRHKPPFPFQVGLFNRPTLINNIET
LFWVRDLIERGAEWWKSHGRNGRVGLRSYSVSGRVKEPGVKLAPAGLTIQ
ELIDEYCGGISDGHSFAAYLPGGASGGILPASMNDIPLDFGTLEKYGCFI
GSAAVVILSDQDDVRGAALNLMKFFEDESCGQCTPCRSGTQKARMLMENG
VWDTDLLGELAQCMRDASICGLGQAASNPVSTVIKYFPDLF
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 B Residue 602 [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)		I330 P348 S501 C502 G503 Q504 C505 C508 I541 C542 L544 G545
Binding residue
(residue number reindexed from 1)		I308 P326 S479 C480 G481 Q482 C483 C486 I519 C520 L522 G523
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:7xqw, PDBe:7xqw, PDBj:7xqw
PDBsum7xqw
PubMed
UniProtC5ATT6

[Back to BioLiP]