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Crystal structures of escherichia COLI dihydrofolate reductase. the NADP+ holoenzyme and the FOLATE(DOT)NADP+ ternary complex. substrate binding and a model for the transition state

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

PDB: 6DFR
Type: protein
Length: 154 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dihydrofolate reductase
EC: 1.5.1.3
UniProt: P0ABQ4
Ligands: NAP, CA
Pockets: 2 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dihydrofolate reductase (EC 1.5.1.3)	protein	154	24% helix, 31% strand	P0ABQ4

Ligands and binding sites

NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
CA · Calcium ion · metal · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	237	0.52	0.76	29	CA
2	72	0.30	0.74	16	NAP

Compared structures

6DFR · Crystal structures of escherichia COLI dihydrofolate reductase. the NADP+ holoenzyme and… · the same entry in another collection · chain A against A, TM-score 1.00
P0ABQ4 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase (P0ABQ4) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P0ABQ4
Elsewhere: RCSB PDB 6DFR · PDBe 6DFR · UniProt P0ABQ4

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