MolNFT v1 · #4168 · protein

Dihydrofolate reductase of mycobacterium tuberculosis complexed with NADPH and methotrexate

1DF7: “Dihydrofolate reductase of mycobacterium tuberculosis complexed with NADPH and methotrexate”. X-ray diffraction, 3 ligands (NDP, MTX, SO4), 1 pocket (best druggability 0.71). MolNFT v1 #4168 on GenesisL1: 3D structure, binding sites…

PDB: 1DF7
Type: protein
Length: 159 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dihydrofolate reductase
EC: 1.5.1.3
UniProt: P0A546
Ligands: NDP, MTX, SO4
Pockets: 1 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dihydrofolate reductase (EC 1.5.1.3)	protein	159	21% helix, 33% strand	P0A546

Ligands and binding sites

NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
MTX · Methotrexate · ligand · chains A
SO4 · Sulfate ion · ion · chains A
GOL · Glycerol · additive · 4 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	474	0.71	0.81	47	NDP, MTX, GOL

Compared structures

1DF7 · Dihydrofolate reductase of mycobacterium tuberculosis complexed with NADPH and… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P0A546
Elsewhere: RCSB PDB 1DF7 · PDBe 1DF7 · UniProt P0A546

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