Structure of PDB 4p2x Chain A Binding Site BS01

Receptor Information
>4p2x Chain A (length=167) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNIIADKYDEASVLFADIVPALVRFLDRLYSAFDELVDQHGLEKIKGDSY
MVVSGVPRPRPDHTQALADFALDMTNVAAQLKDPRNPVPLRVGLATGPVV
AGVVGSRRFFYDVWGDAVNVASRMESTDSVGQIQVPDEVYERLKDDFVLR
ERGHINVMRTWYLIGRK
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 chain4p2x Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4p2x New structural forms of a mycobacterial adenylyl cyclase Rv1625c.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D245 Y247 A354
Binding residue
(residue number reindexed from 1)		D6 Y8 A101
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D256 I257 D300 R376
Catalytic site (residue number reindexed from 1) D17 I18 D48 R123
Enzyme Commision number 4.6.1.1: adenylate cyclase.
Gene Ontology
Molecular Function
GO:0016849 phosphorus-oxygen lyase activity
Biological Process
GO:0009190 cyclic nucleotide biosynthetic process
GO:0035556 intracellular signal transduction

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Molecular Function
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Biological Process
External links
PDB RCSB:4p2x, PDBe:4p2x, PDBj:4p2x
PDBsum4p2x
PubMed25295175
UniProtP9WQ35|CYA1_MYCTU Adenylate cyclase (Gene Name=cya)

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