Structure of PDB 2wp4 Chain B Binding Site BS01

Receptor Information
>2wp4 Chain B (length=132) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANVVAEGAYPYCRLTDQPLSVDEVLAAVSGPEQGGIVIFVGNVRDHNDVT
RLFYEAYPPMVIRTLMSIIGRCEDKAEGVRVAVAHRTGELQIGDAAVVIG
ASAPHRAEAFDAARMCIELLKQEVPIWKKEFS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2wp4 Chain B Residue 1137 [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]
PDB2wp4 Crystal Structure of Rv3119 from Mycobacterium Tuberculosis
Resolution2.49 Å
Binding residue
(original residue number in PDB)		E59 I130
Binding residue
(residue number reindexed from 1)		E55 I126
Annotation score1
Enzymatic activity
Enzyme Commision number 2.8.1.12: molybdopterin synthase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0030366 molybdopterin synthase activity
Biological Process
GO:0006777 Mo-molybdopterin cofactor biosynthetic process
GO:0032324 molybdopterin cofactor biosynthetic process
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2wp4, PDBe:2wp4, PDBj:2wp4
PDBsum2wp4
PubMed
UniProtP9WJR3|MOAE1_MYCTU Molybdopterin synthase catalytic subunit 1 (Gene Name=moaE1)

[Back to BioLiP]