MolNFT v1 · #2536 · protein

NMR solution structure and dynamics of the complex of lactobacillus casei dihydrofolate reductase with the new lipophilic antifolate drug trimetrexate, 22 structures

1BZF: “NMR solution structure and dynamics of the complex of lactobacillus casei dihydrofolate reductase with the…”. Solution nmr, 1 ligand (TMQ), 1 pocket (best druggability 0.71). MolNFT v1 #2536 on GenesisL1: 3D structure, binding sites…

PDB: 1BZF
Type: protein
Length: 162 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dihydrofolate reductase
EC: 1.5.1.3
UniProt: P00381
Ligands: TMQ
Pockets: 1 · best druggability 0.71

Structure

solution nmr · 1 distinct chain · 23% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dihydrofolate reductase (EC 1.5.1.3)	protein	162	23% helix, 30% strand	P00381

Ligands and binding sites

TMQ · Trimetrexate · 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	424	0.71	0.81	39	TMQ

Compared structures

1BZF · NMR solution structure and dynamics of the complex of lactobacillus casei dihydrofolate… · 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 0.94

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 1BZF · PDBe 1BZF · UniProt P00381

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