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Receptor Information

>4tmc Chain C (length=399) Species: 4911 (Kluyveromyces marxianus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MSYMNFDPKPLGDTNIFKPIKIGNNELKHRVVMPALTRMRAIAPGNIPNT
EWAEEYYRQRSQYPGTLIITEGTFPSAQSGGYPNVPGIWSKEQLAEWKKI
FNAIHENKSFVWVQLWVLGRQAWPEVLKKEGLRYDSATDDLYMGEEEKER
ALKANNPQHGITKEEIKQYIKEYVDAAKKAIDAGADGVQIHSANGYLLNQ
FLDPISNNRTDEYGGSIENRARFTLEVVDAVVDAVGAERTSIRFSPYGTF
GTMSGGENPGIVAQYAYVIGELEKRARAGKRLAFIDLVEPRVTDPFLPEF
EKWFKEGTNEFIYSIWKGPVLRVGNYALDPDQATLDSKKPNTLIGYGRSF
IANPDLVYRLEKGLPLNKYDRNTFYTFTKEGYTDYPSYEESVAKGYKKE

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

4tmc Chain C Residue 501 [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	4tmc An Engineered Old Yellow Enzyme that Enables Efficient Synthesis of (4R,6R)-Actinol in a One-Pot Reduction System
Resolution	1.8 Å
Binding residue (original residue number in PDB)	A35 L36 T37 Q114 H191 N194 R243 G324 N325 G347 R348 F374 Y375
Binding residue (residue number reindexed from 1)	A35 L36 T37 Q114 H191 N194 R243 G324 N325 G347 R348 F374 Y375
Annotation score	1

Catalytic site (original residue number in PDB)	T37 H191 N194 Y196 R243 G251
Catalytic site (residue number reindexed from 1)	T37 H191 N194 Y196 R243 G251
Enzyme Commision number	?

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

PDB	RCSB:4tmc, PDBe:4tmc, PDBj:4tmc
PDBsum	4tmc
PubMed	25639703
UniProt	Q6I7B7

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Structure of PDB 4tmc Chain C Binding Site BS01