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Receptor Information

>5ogt Chain B (length=348) Species: 743525 (Thermus scotoductus SA-01) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ALLFTPLELGGLRLKNRLAMSPMDQYSATLEGEVTDWHLLHYPTRALGGV
GLILVEATAVEPLGRTSPYDLGIWSEDHLPGLKELARRIREAGAVPGIQL
HHAGRKAGTARPWEGGKPLGWRVVGPSPIPFDEGYPVPEPLDEAGMERIL
QAFVEGARRALRAGFQVIELHMAHGYLLSSFLSPLSNQRTDAYGGSLENR
MRFPLQVAQAVREVVPRELPLFVRVSATDWGEGGWSLEDTLAFARRLKEL
GVDLLDCSSGGVVLRVRIPLAPGFQVPFADAVRKRVGLRTGAVGLITTPE
QAETLLQAGSADLVLLGRVLLRDPYFPLRAAKALGVAPEVPPQYQRGF

Ligand ID

FMN

InChI

InChI=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

InChIKey

FVTCRASFADXXNN-SCRDCRAPSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01	N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385	Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385	Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C

Formula

C17 H21 N4 O9 P

Name

FLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE

PDB chain

5ogt Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5ogt Thermus scotoductus SA-01 Ene-reductase triple mutant TsER_C25D_I67T_A102H
Resolution	2.3 Å
Binding residue (original residue number in PDB)	S22 P23 M24 D25 A58 Q100 H172 H175 R225 V294 L296 G318 R319
Binding residue (residue number reindexed from 1)	S21 P22 M23 D24 A57 Q99 H171 H174 R224 V293 L295 G317 R318
Annotation score	1

Catalytic site (original residue number in PDB)	D25 H172 H175 Y177 R225 E233
Catalytic site (residue number reindexed from 1)	D24 H171 H174 Y176 R224 E232
Enzyme Commision number	?

	Molecular Function
GO:0000166	nucleotide binding
GO:0003959	NADPH dehydrogenase activity
GO:0010181	FMN binding
GO:0016491	oxidoreductase activity
GO:0050661	NADP binding

PDB	RCSB:5ogt, PDBe:5ogt, PDBj:5ogt
PDBsum	5ogt
PubMed
UniProt	E8PRF1

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Structure of PDB 5ogt Chain B Binding Site BS01