MolNFT v1 · #46847 · protein

Crystal structure of the geobacillus stearothermophilus carboxylesterase EST55 at pH 6.2

2OGS · Thermostable carboxylesterase EST50: “Crystal structure of the geobacillus stearothermophilus carboxylesterase EST55 at pH 6.2”. X-ray diffraction, 1 ligand (IOD), 5 pockets (best druggability 0.62). MolNFT v1 #46847 on GenesisL1…

PDB: 2OGS
Type: protein
Length: 479 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thermostable carboxylesterase EST50
EC: 3.1.1.1
UniProt: Q8GCC7
Ligands: IOD
Pockets: 5 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thermostable carboxylesterase EST50 (EC 3.1.1.1)	protein	479	40% helix, 16% strand	Q8GCC7

Ligands and binding sites

IOD · Iodide ion · ion · 3 copies · chains A

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

Pockets

5 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	425	0.62	0.76	41	empty
2	150	0.59	0.83	21	empty
3	133	0.53	0.81	23	IOD
4	113	0.44	0.78	28	IOD
5	53	0.30	0.75	11	empty

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

2OGS · Crystal Structure of the GEOBACILLUS STEAROTHERMOPHILUS Carboxylesterase EST55 at pH 6.2 · the same entry in another collection · 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 Q8GCC7
Elsewhere: RCSB PDB 2OGS · PDBe 2OGS · UniProt Q8GCC7

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