Structure of PDB 6vs9 Chain B

Receptor sequence
>6vs9B (length=159) Species: 419947 (Mycobacterium tuberculosis H37Ra) [Search protein sequence]
MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSL
PAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVY
ALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLR
YRLYSYHRS
3D structure
PDB6vs9 Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
ChainB
Resolution1.842 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) I5 I20 W22 D27 Q28 F31 L57 T91 T113
Catalytic site (residue number reindexed from 1) I5 I20 W22 D27 Q28 F31 L57 T91 T113
Enzyme Commision number 1.5.1.3: dihydrofolate reductase.
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 RK4 B F31 R32 V54 L57 R60 F31 R32 V54 L57 R60 MOAD: Kd=3.2mM
BS02 NAP B W6 A7 I14 G18 D19 I20 G43 R44 R45 T46 L65 S66 R67 G80 I94 G96 G97 Q98 V99 W6 A7 I14 G18 D19 I20 G43 R44 R45 T46 L65 S66 R67 G80 I94 G96 G97 Q98 V99
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004146 dihydrofolate reductase activity
GO:0016491 oxidoreductase activity
GO:0050661 NADP binding
Biological Process
GO:0006730 one-carbon metabolic process
GO:0046452 dihydrofolate metabolic process
GO:0046654 tetrahydrofolate biosynthetic process
GO:0046655 folic acid metabolic process
Cellular Component
GO:0005829 cytosol

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Cellular Component
External links
PDB RCSB:6vs9, PDBe:6vs9, PDBj:6vs9
PDBsum6vs9
PubMed32603583
UniProtA5U6B6

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