MolNFT v1 · #114403 · protein

Crystal structure of staphylococcus aureus enolase in complex with pep

5BOE: “Crystal structure of staphylococcus aureus enolase in complex with pep”. X-ray diffraction, 2 ligands (PEP, MG), 6 pockets (best druggability 0.77). MolNFT v1 #114403 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5BOE
Type: protein
Length: 866 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Enolase
EC: 4.2.1.11
UniProt: O69174
Ligands: PEP, MG
Pockets: 6 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Enolase (EC 4.2.1.11)	protein	433	43% helix, 19% strand	O69174

Ligands and binding sites

PEP · Phosphoenolpyruvate · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B
GOL · Glycerol · additive · 3 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, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	957	0.77	0.79	48	GOL
2	134	0.66	0.89	28	PEP, MG
3	530	0.66	0.77	61	empty
4	203	0.52	0.78	35	PEP
5	71	0.35	0.77	14	empty

Interfaces

1 interface between chains.

A–B · 1832 Å² buried · 36 hydrogen bonds · protein-protein

Compared structures

5BOE · Crystal structure of Staphylococcus aureus enolase in complex with PEP · the same entry in another collection · chain A against A, TM-score 1.00
O69174 · AlphaFold monomer V2.0 prediction for enolase (O69174) · a predicted model of the same protein · 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 O69174
Elsewhere: RCSB PDB 5BOE · PDBe 5BOE · UniProt O69174

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