Structure of PDB 4km2 Chain B

Receptor sequence
>4km2B (length=159) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence]
MVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSL
PAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVY
ALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLR
YRLYSYHRS
3D structure
PDB4km2 Mycobacterium tuberculosis Dihydrofolate Reductase Reveals Two Conformational States and a Possible Low Affinity Mechanism to Antifolate Drugs.
ChainB
Resolution1.4 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 ATR B G43 R44 R45 T46 L65 S66 R67 G96 G97 Q98 V99 L102 G43 R44 R45 T46 L65 S66 R67 G96 G97 Q98 V99 L102
BS02 TOP B I5 W6 D27 F31 L50 L57 I94 I5 W6 D27 F31 L50 L57 I94 MOAD: Kd=1.43uM
BindingDB: IC50=88000nM
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

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Molecular Function
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Cellular Component
External links
PDB RCSB:4km2, PDBe:4km2, PDBj:4km2
PDBsum4km2
PubMed24210757
UniProtP9WNX1|DYR_MYCTU Dihydrofolate reductase (Gene Name=folA)

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