Structure of PDB 3coy Chain B

Receptor sequence
>3coyB (length=279) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
AIPAFHPGELNVYSAPGDVADVSRALRLTGRRVMLVPTMGALHEGHLALV
RAAKRVPGSVVVVSIFVNPMQAYPRTPDDDLAQLRAEGVEIAFTPTTAAM
YPDGLRTTVQPGPLAAELEGGPRPTHFAGVLTVVLKLLQIVRPDRVFFGE
KDYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNRYLDPAQRAA
AVALSAALTAAAHAATAGAQAALDAARAVLDAAPGVAVDYLELRDIGLGP
MPLNGSGRLLVAARLGTTRLLDNIAIEIG
3D structure
PDB3coy Inhibition of Mycobacterium tuberculosis pantothenate synthetase by analogues of the reaction intermediate.
ChainB
Resolution2.03 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 D79 D80 Q83 K151 S187 S188 R189
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 53H B P38 T39 M40 G46 H47 L50 Q72 F157 G158 D161 Q164 T186 V187 M195 P37 T38 M39 G45 H46 L49 Q71 F148 G149 D152 Q155 T177 V178 M186 MOAD: Kd=0.96uM
BindingDB: Ki=300nM
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:3coy, PDBe:3coy, PDBj:3coy
PDBsum3coy
PubMed18821554
UniProtP9WIL5|PANC_MYCTU Pantothenate synthetase (Gene Name=panC)

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