Structure of PDB 4ege Chain A Binding Site BS02

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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4ege Chain A Residue 412 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4ege Increasing the structural coverage of tuberculosis drug targets.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D230 D242 E349
Binding residue
(residue number reindexed from 1)		D227 D239 E346
Annotation score4
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
PDBsum4ege
PubMed25613812
UniProtA0PQS3

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