Structure of PDB 2ev3 Chain A Binding Site BS02

Receptor Information
>2ev3 Chain A (length=184) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NIDDLLGDLGGTARAERAKLVEWLLEQGITPDEIRATNPPLLLATRHLVG
DDGTYVSAREISENYGVDLELLQRVQRAVGLARVDDPDAVVHMRADGEAA
ARAQRFVELGLNPDQVVLVVRVLAEGLSHAAEAMRYTALEAIMRPGATEL
DIAKGSQALVSQIVPLLGPMIQDMLFMQLRHMME
Ligand information
Ligand IDOLA
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
InChIKeyZQPPMHVWECSIRJ-KTKRTIGZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCCC\C=C/CCCCCCCC
CACTVS 3.341CCCCCCCCC=CCCCCCCCC(O)=O
CACTVS 3.341CCCCCCCC\C=C/CCCCCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCC=CCCCCCCCC(=O)O
OpenEye OEToolkits 1.5.0CCCCCCCC\C=C/CCCCCCCC(=O)O
FormulaC18 H34 O2
NameOLEIC ACID
ChEMBLCHEMBL8659
DrugBank
ZINCZINC000006845860
PDB chain2ev3 Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2ev3 The structure of the regulatory domain of the adenylyl cyclase Rv1264 from Mycobacterium tuberculosis with bound oleic acid
Resolution2.68 Å
Binding residue
(original residue number in PDB)		L53 M145 R146 L178 M181
Binding residue
(residue number reindexed from 1)		L42 M134 R135 L167 M170
Annotation score1
Enzymatic activity
Enzyme Commision number 4.6.1.1: adenylate cyclase.
External links
PDB RCSB:2ev3, PDBe:2ev3, PDBj:2ev3
PDBsum2ev3
PubMed17482646
UniProtP9WMU9|Y1264_MYCTU pH-sensitive adenylate cyclase Rv1264 (Gene Name=Rv1264)

[Back to BioLiP]