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Crystal structures of escherichia COLI and lactobacillus casei dihydrofolate reductase refined at 1.7 ångströms resolution. I. general features and binding of methotrexate

Analyse Crystal structures of escherichia COLI and lactobacillus casei dihydrofolate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3DFR
Type: protein
Length: 162 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dihydrofolate reductase
EC: 1.5.1.3
UniProt: P00381
Ligands: NDP, MTX
Pockets: 1 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dihydrofolate reductase (EC 1.5.1.3)	protein	162	25% helix, 33% strand	P00381

Ligands and binding sites

NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
MTX · Methotrexate · ligand · 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	397	0.69	0.81	44	NDP, MTX

Compared structures

3DFR · Crystal structures of escherichia COLI and lactobacillus casei dihydrofolate reductase… · the same entry in another collection · chain A against A, TM-score 1.00
P00381 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase (P00381) · a predicted model of the same protein · 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 P00381
Elsewhere: RCSB PDB 3DFR · PDBe 3DFR · UniProt P00381

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