Structure of PDB 7e5z Chain B Binding Site BS01

Receptor Information
>7e5z Chain B (length=537) Species: 272630 (Methylorubrum extorquens AM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRQVDPHAKVEIEELLGTRPRQRDLLIEHLHLIQDTYGQISADHLAALAD
EMSLAFAEVFETATFYAHFDVVKEGEADIPRLTIRVCDSITCAMFGADEL
LETLQRELASDAVRVVRAPCVGLCDHAPAVEVGHNFLHRADLASVRAAVE
AEDTHAHIPTYVDYDAYRAGGGYATLERLRSGELPVDDVLKVLDDGGLRG
LGGAGFPTGRKWRSVRGEPGPRLMAVNGDEGEPGTFKDQLYLNTDPHRFL
EGMLIGAHVVEAADVYIYLRDEYPISREILAREIAKLPEGGTRIHLRRGA
GAYICGEESSLIESLEGKRGLPRHKPPFPFQVGLFNRPTLINNIETLFWV
RDLIERGAEWWKSHGRNGRVGLRSYSVSGRVKEPGVKLAPAGLTIQELID
EYCGGISDGHSFAAYLPGGASGGILPASMNDIPLDFGTLEKYGCFIGSAA
VVILSDQDDVRGAALNLMKFFEDESCGQCTPCRSGTQKARMLMENGVWDT
DLLGELAQCMRDASICGLGQAASNPVSTVIKYFPDLF
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 chain7e5z Chain B Residue 1000 [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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PDB7e5z Dehydrogenase holoenzyme
Resolution3.6 Å
Binding residue
(original residue number in PDB)		L227 K237 G332 E333 E334 N368 G543
Binding residue
(residue number reindexed from 1)		L201 K211 G306 E307 E308 N342 G517
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:7e5z, PDBe:7e5z, PDBj:7e5z
PDBsum7e5z
PubMed
UniProtC5ATT6

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