Structure of PDB 1ybu Chain A Binding Site BS01

Receptor Information
>1ybu Chain A (length=166) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AERMLATIMFTDIVGSTQHAAALGDDRWRDLLDNHDTIVCHEIQRFGGRE
VNTAGDGFVATFTSPSAAIACADDIVDAVAALGIEVRIGIHAGEVEVRDA
SHGTDVAGVAVHIGARVCALAGPSEVLVSSTVRDIVAGSRHRFAERGEQE
LKGVPGRWRLCVLMRD
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 chain1ybu Chain A Residue 501 [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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PDB1ybu Origin of asymmetry in adenylyl cyclases: structures of Mycobacterium tuberculosis Rv1900c.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D302 I303 S306 D346
Binding residue
(residue number reindexed from 1)		D12 I13 S16 D56
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.-
4.6.1.1: adenylate cyclase.
Gene Ontology
Biological Process
GO:0009190 cyclic nucleotide biosynthetic process
GO:0035556 intracellular signal transduction

View graph for
Biological Process
External links
PDB RCSB:1ybu, PDBe:1ybu, PDBj:1ybu
PDBsum1ybu
PubMed15678099
UniProtO07732|LIPJ_MYCTU Bifunctional lipase/adenylate cyclase LipJ (Gene Name=lipJ)

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