MolNFT v1 · #46299 · protein

Mycobacterium tuberculosis epsp synthase in complex with S3P and pep

2O0E · 3-phosphoshikimate 1-carboxyvinyltransferase: “Mycobacterium tuberculosis epsp synthase in complex with S3P and pep”. X-ray diffraction, 3 ligands (S3P, PEP, SO4), 2 pockets (best druggability 0.76). MolNFT v1 #46299 on GenesisL1…

PDB: 2O0E
Type: protein
Length: 424 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-phosphoshikimate 1-carboxyvinyltransferase
EC: 2.5.1.19
UniProt: P22487
Ligands: S3P, PEP, SO4
Pockets: 2 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19)	protein	424	36% helix, 21% strand	P22487

Ligands and binding sites

S3P · Shikimate-3-phosphate · ligand · chains A
PEP · Phosphoenolpyruvate · ligand · chains A
SO4 · Sulfate ion · ion · 3 copies · 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	109	0.76	0.97	35	SO4, S3P, PEP
2	65	0.31	0.75	19	empty

Compared structures

2O0E · Mycobacterium tuberculosis epsp synthase in complex with S3P and PEP · 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 P22487
Elsewhere: RCSB PDB 2O0E · PDBe 2O0E · UniProt P22487

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