Structure of PDB 6vse Chain B

Receptor sequence

>6vseB (length=159) Species: 83332 (Mycobacterium tuberculosis H37Rv)

MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSL
PAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVY
ALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLR
YRLYSYHRS

3D structure

• PDB: 6vse Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
• Chain: B
• Resolution: 1.758 Å

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	NAP	B	W6 A7 I14 G15 D19 I20 G43 R44 R45 T46 L65 S66 R67 Q68 I94 G96 G97 Q98 V99 L102	W6 A7 I14 G15 D19 I20 G43 R44 R45 T46 L65 S66 R67 Q68 I94 G96 G97 Q98 V99 L102
BS02	4RG	B	F31 R32 L50 V54 R60	F31 R32 L50 V54 R60	MOAD: Kd=0.5mM

Gene Ontology

Molecular Function

• GO:0004146 dihydrofolate reductase activity
• GO:0016491 oxidoreductase activity
• GO:0050661 NADP binding
• GO:0070401 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

External links

• PDB: RCSB:6vse, PDBe:6vse, PDBj:6vse
• PDBsum: 6vse
• PubMed: 32603583
• UniProt: P9WNX1|DYR_MYCTU Dihydrofolate reductase (Gene Name=folA)