MolNFT v1 · #37198 · protein

E. COLI thymidylate synthase Y94F mutant

2FTN: “E. COLI thymidylate synthase Y94F mutant”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.71). MolNFT v1 #37198 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2FTN
Type: protein
Length: 264 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thymidylate synthase
EC: 2.1.1.45
UniProt: P0A884
Ligands: SO4
Pockets: 4 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thymidylate synthase (EC 2.1.1.45)	protein	264	35% helix, 26% strand	P0A884

Ligands and binding sites

SO4 · Sulfate ion · ion · 8 copies · chains A

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

Pockets

4 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	601	0.71	0.79	42	SO4
2	54	0.29	0.75	14	SO4
3	52	0.26	0.73	11	empty
4	53	0.26	0.73	15	empty

Modifications

Observed in the structure: 1 modified (carboxylation).

Compared structures

2FTN · E. coli thymidylate synthase Y94F mutant · 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 P0A884
Elsewhere: RCSB PDB 2FTN · PDBe 2FTN · UniProt P0A884

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