BioLiP

Receptor Information

>2z6i Chain B (length=321) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MKTRITELLKIDYPIFQGGMAWVADGDLAGAVSKAGGLGIIGGGNAPKEV
VKANIDKIKSLTDKPFGVNIMLLSPFVEDIVDLVIEEGVKVVTTGAGNPS
KYMERFHEAGIIVIPVVPSVALAKRMEKIGADAVIAEGMEAGGHIGKLTT
MTLVRQVATAISIPVIAAGGIADGEGAAAGFMLGAEAVQVGTRFVVAKES
NAHPNYKEKILKARDIDTTISAQHFGHAVRAIKNQLTRDFELAEKDAFKQ
EDPDLEIFEQMGAGALAKAVVHGDVDGGSVMAGQIAGLVSKEETAEEILK
DLYYGAAKKIQEEASRWTGVV

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

2z6i Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	2z6i Crystal structure of enoyl-acyl carrier protein reductase (FabK) from Streptococcus pneumoniae reveals the binding mode of an inhibitor.
Resolution	1.7 Å
Binding residue (original residue number in PDB)	G18 G19 M20 A21 N69 E137 A141 G142 G169 G170 G191 T192 M281
Binding residue (residue number reindexed from 1)	G18 G19 M20 A21 N69 E137 A141 G142 G169 G170 G191 T192 M281
Annotation score	1

Enzyme Commision number

1.13.12.16: nitronate monooxygenase.
1.3.-.-
1.3.1.9: enoyl-[acyl-carrier-protein] reductase (NADH).

	Molecular Function
GO:0000166	nucleotide binding
GO:0004318	enoyl-[acyl-carrier-protein] reductase (NADH) activity
GO:0016491	oxidoreductase activity
GO:0018580	nitronate monooxygenase activity
GO:0046872	metal ion binding

PDB	RCSB:2z6i, PDBe:2z6i, PDBj:2z6i
PDBsum	2z6i
PubMed	18305197
UniProt	Q9FBC5

[Back to BioLiP]

Structure of PDB 2z6i Chain B Binding Site BS03