MolNFT v1 · #25824 · protein

Crystal structure of octameric enolase from streptococcus pneumoniae

1W6T: “Crystal structure of octameric enolase from streptococcus pneumoniae”. X-ray diffraction, 1 ligand (MG), 7 pockets (best druggability 0.78). MolNFT v1 #25824 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1W6T
Type: protein
Length: 858 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Enolase
EC: 4.2.1.11
UniProt: Q8DPS0
Ligands: MG
Pockets: 7 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Enolase (EC 4.2.1.11)	protein	428	43% helix, 18% strand	Q8DPS0
B	Enolase (EC 4.2.1.11)	protein	430	43% helix, 18% strand	Q8DPS0

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · chains A, B
2PE · Nonaethylene glycol · additive · 2 copies · chains A, B

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	965	0.78	0.80	49	empty
2	385	0.65	0.80	61	empty
3	234	0.59	0.80	34	empty
4	143	0.44	0.77	26	empty
5	57	0.32	0.77	13	empty

Interfaces

1 interface between chains.

A–B · 1865 Å² buried · 41 hydrogen bonds · protein-protein

Compared structures

1W6T · Crystal Structure Of Octameric Enolase From Streptococcus pneumoniae · the same entry in another collection · chain A against A, TM-score 1.00
Q8DPS0 · AlphaFold monomer V2.0 prediction for enolase (Q8DPS0) · 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 Q8DPS0
Elsewhere: RCSB PDB 1W6T · PDBe 1W6T · UniProt Q8DPS0

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