Structure of PDB 3cow Chain A

Receptor sequence
>3cowA (length=286) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
IPAFHPGELNVYSAPGDVADVSRALRLTGRRVMLVPTMGALHEGHLALVR
AAKRVPGSVVVVSIFVNPMQFGAGGDLDAYPRTPDDDLAQLRAEGVEIAF
TPTTAAMYPDGLRTTVQPGPLAAELEGGPRPTHFAGVLTVVLKLLQIVRP
DRVFFGEKDYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNRYL
DPAQRAAAVALSAALTAAAHAATAGAQAALDAARAVLDAAPGVAVDYLEL
RDIGLGPMPLNGSGRLLVAARLGTTRLLDNIAIEIG
3D structure
PDB3cow Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate.
ChainA
Resolution1.8 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) M38 H42 H45 D86 D87 Q90 K158 S194 S195 R196
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 52H A P38 T39 M40 G46 H47 L50 Q72 F157 G158 K160 D161 Q164 T186 V187 M195 P36 T37 M38 G44 H45 L48 Q70 F155 G156 K158 D159 Q162 T184 V185 M193 MOAD: Kd=0.125uM
PDBbind-CN: -logKd/Ki=6.90,Kd=0.125uM
BindingDB: Ki=270nM
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:3cow, PDBe:3cow, PDBj:3cow
PDBsum3cow
PubMed18821554
UniProtP9WIL5|PANC_MYCTU Pantothenate synthetase (Gene Name=panC)

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