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Asymmetric complex of human neuron specific enolase-6-PGA/PEP

Analyse Asymmetric complex of human neuron specific enolase-6-PGA/PEP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3UJS
Type: protein
Length: 866 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gamma-enolase
EC: 4.2.1.11
UniProt: P09104
Ligands: XSP, 0V5, MG
Pockets: 7 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Gamma-enolase (EC 4.2.1.11)	protein	433	45% helix, 17% strand	P09104

Ligands and binding sites

XSP · (2R)-3-oxo-2-(phosphonooxy)propanoic acid · ligand · chains A
0V5 · (2R)-2-(phosphonooxy)propanoic acid · ligand · chains B
MG · Magnesium ion · metal · 4 copies · chains A, B
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1057	0.74	0.77	58	empty
2	366	0.73	0.85	61	0V5
3	201	0.52	0.77	32	empty
4	82	0.41	0.79	20	empty
5	88	0.40	0.77	20	empty

Interfaces

1 interface between chains.

A–B · 2021 Å² buried · 44 hydrogen bonds · protein-protein

Compared structures

3UJS · Asymmetric complex of human neuron specific enolase-6-PGA/PEP · the same entry in another collection · chain A against A, TM-score 1.00
P09104 · AlphaFold monomer V2.0 prediction for gamma-enolase (P09104) · 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 P09104
Elsewhere: RCSB PDB 3UJS · PDBe 3UJS · UniProt P09104

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