Structure of PDB 3gbh Chain B Binding Site BS01

Receptor Information
>3gbh Chain B (length=213) Species: 176280 (Staphylococcus epidermidis ATCC 12228) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMQKLTRINDFNEVLNSRKSVKVFDENYKIPREEMDEIITKATKAPSSVN
MQPWRIAVVQSDEMKEKVKESFGFNSRQLTTSSAMLIIFGDLQNYEKAEQ
IYGDAVEQQLMTEDIKAQLLDWILPYYKNLSREGMKDIVNIDSSLMAMQL
MLTAKAHGYDTNPIGGFDKENIADIIGYDSDRYVPVLAIAIGKKAQDAHD
SVRLPIDDVREFL
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 chain3gbh Chain A Residue 300 [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]
PDB3gbh Crystal structure of putative NAD(P)H:FMN oxidoreductase (NP_765521.1) from Staphylococcus epidermidis ATCC 12228 at 2.00 A resolution
Resolution2.0 Å
Binding residue
(original residue number in PDB)		P45 S46 N49 D141
Binding residue
(residue number reindexed from 1)		P46 S47 N50 D142
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) K21 Q77 G164
Catalytic site (residue number reindexed from 1) K22 Q78 G165
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3gbh, PDBe:3gbh, PDBj:3gbh
PDBsum3gbh
PubMed
UniProtA0A0H2VHN8

[Back to BioLiP]