Structure of PDB 2vos Chain A Binding Site BS02

Receptor Information
>2vos Chain A (length=448) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEIASLLQVEHLLDQRWRIDPSLTRISALMDLLGSPQRSYPSIHIAGTNG
KTSVARMVDALVTALHRRTGRTTSPHLQSPVERISIDGKPISPAQYVATY
REIEPLVALIDQQSQASPAMSKFEVLTAMAFAAFADAPVDVAVVEVGMGG
RWDATNVINAPVAVITPISIDHVDYLGADIAGIAGEKAGIITRAPSPDTV
AVIGRQVPKVMEVLLAESVRADASVAREDSEFAVLRRQIAVGGQVLQLQG
LGGVYSDIYLPLHGEHQAHNAVLALASVEAFFGAQLDGDAVRAGFAAVTS
PGRLERMRSAPTVFIDAAHNPAGASALAQTLAHEFDFRFLVGVLSVLGDK
DVDGILAALEPVFDSVVVTHNGSPRALDVEALALAAGERFGPDRVRTAEN
LRDAIDVATSLVDDAAADPDVAGRTGIVITGSVVTAGAARTLFGRDPQ
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 chain2vos Chain A Residue 1491 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vos Structures of Mycobacterium Tuberculosisfolylpolyglutamate Synthase Complexed with Adp and Amppcp.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D202 H356
Binding residue
(residue number reindexed from 1)		D171 H319
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.2.17: tetrahydrofolate synthase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0004326 tetrahydrofolylpolyglutamate synthase activity
GO:0005524 ATP binding
GO:0008841 dihydrofolate synthase activity
GO:0016874 ligase activity
GO:0016881 acid-amino acid ligase activity
GO:0043531 ADP binding
GO:0046872 metal ion binding
GO:0050897 cobalt ion binding
Biological Process
GO:0006761 dihydrofolate biosynthetic process
GO:0009058 biosynthetic process
GO:0009396 folic acid-containing compound biosynthetic process
GO:0046901 tetrahydrofolylpolyglutamate biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2vos, PDBe:2vos, PDBj:2vos
PDBsum2vos
PubMed18566510
UniProtO53174

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