MolNFT v1 · #95680 · protein

Pcdhfr-268-K37S-N69F variant

4IXG · Dihydrofolate reductase: “Pcdhfr-268-K37S-N69F variant”. X-ray diffraction, 2 ligands (NDP, IXG), 1 pocket (best druggability 0.72). MolNFT v1 #95680 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4IXG
Type: protein
Length: 206 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dihydrofolate reductase
EC: 1.5.1.3
UniProt: P16184
Ligands: NDP, IXG
Pockets: 1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
X	Dihydrofolate reductase (EC 1.5.1.3)	protein	206	27% helix, 31% strand	P16184

Ligands and binding sites

NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains X
IXG · N~6~-methyl-N~6~-phenylpyrido[2,3-d]pyrimidine-2,4,6-triamine · ligand · chains X

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	0.72	0.82	45	NDP, IXG

Compared structures

4IXG · pcDHFR-268-K37S-N69F variant · the same entry in another collection · chain X against X, TM-score 1.00
P16184 · AlphaFold monomer V2.0 prediction for dihydrofolate reductase (P16184) · a predicted model of the same protein · chain X against A, TM-score 0.97

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 P16184
Elsewhere: RCSB PDB 4IXG · PDBe 4IXG · UniProt P16184

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