MolNFT v1 · #17250 · protein

Yeast enolase complexed with an equilibrium mixture of 2'- phosphoglyceate and phosphoenolpyruvate

1ONE: “Yeast enolase complexed with an equilibrium mixture of 2'- phosphoglyceate and phosphoenolpyruvate”. X-ray diffraction, 3 ligands (PEP, 2PG, MG), 6 pockets (best druggability 0.72). MolNFT v1 #17250 on GenesisL1: 3D structure…

PDB: 1ONE
Type: protein
Length: 872 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Enolase
EC: 4.2.1.11
UniProt: P00924
Ligands: PEP, 2PG, MG
Pockets: 6 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Enolase (EC 4.2.1.11)	protein	436	46% helix, 18% strand	P00924

Ligands and binding sites

PEP · Phosphoenolpyruvate · ligand · 2 copies · chains A, B
2PG · 2-phosphoglyceric acid · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 4 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	831	0.72	0.77	52	empty
2	213	0.50	0.76	32	empty
3	204	0.49	0.76	31	empty
4	112	0.41	0.76	18	empty
5	71	0.40	0.79	18	empty

Interfaces

1 interface between chains.

A–B · 2017 Å² buried · 43 hydrogen bonds · protein-protein

Compared structures

1ONE · Yeast enolase complexed with an equilibrium mixture of 2'-phosphoglyceate and… · the same entry in another collection · chain A against A, TM-score 1.00
P00924 · AlphaFold monomer V2.0 prediction for enolase 1 (P00924) · a predicted model of the same protein · chain B 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 P00924
Elsewhere: RCSB PDB 1ONE · PDBe 1ONE · UniProt P00924

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