Structure of PDB 3coz Chain B

Receptor sequence
>3cozB (length=278) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
AIPAFHPGELNVYSAPGDVADVSRALRLTGRRVMLVPTMGALHEGHLALV
RAAKRVPGSVVVVSIFVNPMQYPRTPDDDLAQLRAEGVEIAFTPTTAAMY
PDGLRTTVQPGPLAAELEGGPRPTHFAGVLTVVLKLLQIVRPDRVFFGEK
DYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNRYLDPAQRAAA
VALSAALTAAAHAATAGAQAALDAARAVLDAAPGVAVDYLELRDIGLGPM
PLNGSGRLLVAARLGTTRLLDNIAIEIG
3D structure
PDB3coz Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate.
ChainB
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) M40 H44 H47 D88 D89 Q92 K160 S196 S197 R198
Catalytic site (residue number reindexed from 1) M39 H43 H46 D78 D79 Q82 K150 S186 S187 R188
Enzyme Commision number 6.3.2.1: pantoate--beta-alanine ligase (AMP-forming).
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 54H B T39 M40 G46 H47 Q72 F157 G158 D161 Q164 T186 V187 M195 T38 M39 G45 H46 Q71 F147 G148 D151 Q154 T176 V177 M185 MOAD: Kd=2.7uM
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004592 pantoate-beta-alanine ligase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0015940 pantothenate biosynthetic process
GO:0019482 beta-alanine metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3coz, PDBe:3coz, PDBj:3coz
PDBsum3coz
PubMed18821554
UniProtP9WIL5|PANC_MYCTU Pantothenate synthetase (Gene Name=panC)

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