MolNFT v1 · #158790 · protein

Crystal structure of enolase from chlamydia trachomatis

6O4N: “Crystal structure of enolase from chlamydia trachomatis”. X-ray diffraction, 3 ligands (MG, PO4, CL), 9 pockets (best druggability 0.75). MolNFT v1 #158790 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6O4N
Type: protein
Length: 844 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Enolase
EC: 4.2.1.11
UniProt: B0BA40
Ligands: MG, PO4, CL
Pockets: 9 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Enolase (EC 4.2.1.11)	protein	422	41% helix, 19% strand	B0BA40

Ligands and binding sites

MG · Magnesium ion · metal · 5 copies · chains A, B
PO4 · Phosphate ion · ion · 2 copies · chains A, B
CL · Chloride ion · ion · chains A
EDO · 1,2-ethanediol · additive · 8 copies · chains A, B
MRD · (4R)-2-methylpentane-2,4-diol · additive · 4 copies · chains A, B

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

Pockets

9 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	945	0.75	0.78	60	MRD
2	144	0.65	0.87	50	CL, EDO
3	81	0.40	0.78	19	empty
4	59	0.40	0.80	13	MRD
5	66	0.38	0.79	14	MRD

Interfaces

1 interface between chains.

A–B · 1741 Å² buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

6O4N · Crystal Structure of Enolase from Chlamydia trachomatis · the same entry in another collection · chain A against A, TM-score 1.00
B0BA40 · AlphaFold monomer V2.0 prediction for enolase (B0BA40) · 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 B0BA40
Elsewhere: RCSB PDB 6O4N · PDBe 6O4N · UniProt B0BA40

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