Structure of PDB 4dky Chain B Binding Site BS01

Receptor Information
>4dky Chain B (length=101) Species: 419947 (Mycobacterium tuberculosis H37Ra) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNKAELIDVLTQKLGSDRRQATAAVENVVDTIVRAVHKGDSVTITGFGVF
EQRRRAARVARNPRTGETVKVKPTSVPAFRPGAQFKAVVSGAQRLPAEHH
H
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4dky Chain B Residue 201 [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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PDB4dky Targeting Mycobacterium tuberculosis nucleoid-associated protein HU with structure-based inhibitors
Resolution2.478 Å
Binding residue
(original residue number in PDB)		R94 E98 H104
Binding residue
(residue number reindexed from 1)		R94 E98 H101
Annotation score1
Enzymatic activity
Enzyme Commision number 1.16.3.1: ferroxidase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0030527 structural constituent of chromatin

View graph for
Molecular Function
External links
PDB RCSB:4dky, PDBe:4dky, PDBj:4dky
PDBsum4dky
PubMed24916461
UniProtA5U6Z7|DBH_MYCTA DNA-binding protein HupB (Gene Name=hupB)

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