MolNFT v1 · #49167 · protein

E.COLI epsp synthase PRO101SER liganded with S3P

2QFS · 3-phosphoshikimate 1-carboxyvinyltransferase: “E.COLI epsp synthase PRO101SER liganded with S3P”. X-ray diffraction, 1 ligand (S3P), 2 pockets (best druggability 0.75). MolNFT v1 #49167 on GenesisL1: 3D structure, binding sites and…

PDB: 2QFS
Type: protein
Length: 427 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: P0A6D3
Ligands: S3P
Pockets: 2 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19)	protein	427	36% helix, 26% strand	P0A6D3

Ligands and binding sites

S3P · Shikimate-3-phosphate · ligand · chains A
FMT · Formic acid · additive · 12 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	86	0.75	0.98	30	S3P, FMT
2	68	0.32	0.75	16	empty

Compared structures

2QFS · E.coli EPSP synthase Pro101Ser liganded with S3P · the same entry in another collection · chain A against A, TM-score 1.00
P0A6D3 · AlphaFold monomer V2.0 prediction for 3-phosphoshikimate 1-carboxyvinyltransferase… · 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 P0A6D3
Elsewhere: RCSB PDB 2QFS · PDBe 2QFS · UniProt P0A6D3

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