Structure of PDB 7xqw Chain B Binding Site BS01

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 IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain7xqw Chain B Residue 601 [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)		G226 G228 K237 N253 D255 E256 G332 E333 E334 N368 N369 G543 L544
Binding residue
(residue number reindexed from 1)		G204 G206 K215 N231 D233 E234 G310 E311 E312 N346 N347 G521 L522
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

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