MolNFT v1 · #32273 · protein

SP21 double mutant P. vivax dihydrofolate reductase in complex with des-chloropyrimethamine

2BLC · Dihydrofolate reductase-thymidylate synthase: “SP21 double mutant P. vivax dihydrofolate reductase in complex with des-chloropyrimethamine”. X-ray diffraction, 2 ligands (NDP, CP7), 1 pocket (best druggability 0.75). MolNFT v1…

PDB: 2BLC
Type: protein
Length: 215 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dihydrofolate reductase-thymidylate synthase
EC: 1.5.1.3
UniProt: Q5U9H1
Ligands: NDP, CP7
Pockets: 1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dihydrofolate reductase-thymidylate synthase (EC 1.5.1.3)	protein	215	29% helix, 31% strand	Q5U9H1

Ligands and binding sites

NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
CP7 · 6-ethyl-5-phenylpyrimidine-2,4-diamine · ligand · chains A
MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 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	588	0.75	0.82	49	NDP, CP7, MES

Compared structures

2BLC · SP21 double mutant P. vivax Dihydrofolate reductase in complex with… · 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 Q5U9H1
Elsewhere: RCSB PDB 2BLC · PDBe 2BLC · UniProt Q5U9H1

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