Structure of PDB 4oz6 Chain A Binding Site BS02

Receptor Information
>4oz6 Chain A (length=172) Species: 1789 (Mycobacterium xenopi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AITGDALVALPEGESVRIADIVPGARPNSDNAIDLKVLDRHGNPVLADRL
FHSGEHPVYTVRTVEGLRVTGTANHPLLCLVDVAGVPTLLWKLIDEIKPG
DYAVIQRSAFVPGLVRFLAQAIADELTDGRFYYAKVASVTDAGVQPVYSL
RVDACDPAFITNGFVSHNTEAP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4oz6 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4oz6 Structure of the branched intermediate in protein splicing.
Resolution2.786 Å
Binding residue
(original residue number in PDB)
D95 V169
Binding residue
(residue number reindexed from 1)
D95 V139
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A1 T72 N74 H75 H197 N198
Catalytic site (residue number reindexed from 1) A1 T72 N74 H75 H167 N168
Enzyme Commision number 5.6.2.2: DNA topoisomerase (ATP-hydrolyzing).
Gene Ontology
Biological Process
GO:0016539 intein-mediated protein splicing

View graph for
Biological Process
External links
PDB RCSB:4oz6, PDBe:4oz6, PDBj:4oz6
PDBsum4oz6
PubMed24778214
UniProtP72065|GYRA_MYCXE DNA gyrase subunit A (Fragment) (Gene Name=gyrA)

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