Structure of PDB 2z6i Chain B Binding Site BS02

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 information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

2z6i Chain B Residue 505 [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	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)	E137 H144
Binding residue (residue number reindexed from 1)	E137 H144
Annotation score	1

Enzymatic activity

Enzyme Commision number

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

Gene Ontology

	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

View graph for
Molecular Function

External links

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

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