Structure of PDB 4ege Chain A Binding Site BS01

Receptor Information

>4ege Chain A (length=371) Species: 362242 (Mycobacterium ulcerans Agy99) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GRFDTAVYARRLAAAAAATEQAGLAGLVITPGYDLRYLIGSRADTFERLT
ALVLPASGVPTIVLPRLELASLKESAASDLGVCVRDWVDGDDPYQLVAVA
LGGAPAATAVTDSMPALHLLPLADALGVLPVLATDVLRQLRMVKEAAEVD
ALAKAGAAIDRVHARVPAFLVPGRTEAQVAADIAEAIVAEGHSAVAFVIV
GSGPHGADPHHGYSDRKLQVGDIVVVDIGGTYEPGYYSDSTRTYSIGDPS
PDVAQQYSALQRAQRAAVDAVRPGVTAAQVDAAARDVLADAGLAEYFVHR
TGHGIGLCVHEEPYIVAGNELPLVAGMAFSIEPGIYFPGRWGARIEDIVV
VTENGALSVNNRPHELMVVPV

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

4ege Chain A Residue 411 [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	4ege Increasing the structural coverage of tuberculosis drug targets.
Resolution	2.2 Å
Binding residue (original residue number in PDB)	D242 H306 E335 E349
Binding residue (residue number reindexed from 1)	D239 H303 E332 E346
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	H213 D230 D242 T244 H302 H306 H313 A331 E335 Y339 R347 E349
Catalytic site (residue number reindexed from 1)	H210 D227 D239 T241 H299 H303 H310 A328 E332 Y336 R344 E346
Enzyme Commision number	?

Gene Ontology

	Molecular Function
GO:0016787	hydrolase activity
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:4ege, PDBe:4ege, PDBj:4ege
PDBsum	4ege
PubMed	25613812
UniProt	A0PQS3

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