Structure of PDB 2c94 Chain B

Receptor sequence
>2c94B (length=146) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
ASGVRLAIVASSWHGKICDALLDGARKVAAGCGLDDPTVVRVLGAIEIPV
VAQELARNHDAVVALGVVIRGQTPHFDYVCDAVTQGLTRVSLDSSTPIAN
GVLTTNTEEQALDRAGLPTSAEDKGAQATVAALATALTLRELRAHS
3D structure
PDB2c94 Structural and Thermodynamic Insights Into the Binding Mode of Five Novel Inhibitors of Lumazine Synthase from Mycobacterium Tuberculosis.
ChainB
Resolution1.9 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H89
Catalytic site (residue number reindexed from 1) H75
Enzyme Commision number 2.5.1.78: 6,7-dimethyl-8-ribityllumazine synthase.
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 TSF B A113 N114 R128 K138 A99 N100 R114 K124 MOAD: Ka=6540000M^-1
PDBbind-CN: -logKd/Ki=6.82,Kd=0.15uM
BS02 TSF B W27 G58 A59 I60 E61 V81 V82 I83 G85 T87 W13 G44 A45 I46 E47 V67 V68 I69 G71 T73 MOAD: Ka=6540000M^-1
PDBbind-CN: -logKd/Ki=6.82,Kd=0.15uM
Gene Ontology
Molecular Function
GO:0000906 6,7-dimethyl-8-ribityllumazine synthase activity
GO:0016740 transferase activity
Biological Process
GO:0009231 riboflavin biosynthetic process
Cellular Component
GO:0005829 cytosol
GO:0009349 riboflavin synthase complex

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Cellular Component
External links
PDB RCSB:2c94, PDBe:2c94, PDBj:2c94
PDBsum2c94
PubMed16984393
UniProtP9WHE9|RISB_MYCTU 6,7-dimethyl-8-ribityllumazine synthase (Gene Name=ribH)

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