MolNFT v1 · #102081 · protein

Crystal structure of a novel thermostable esterase from pseudomonas putida ECU1011

4OB8 · ALPHA/BETA hydrolase fold-3 domain protein: “Crystal structure of a novel thermostable esterase from pseudomonas putida ECU1011”. X-ray diffraction, 2 pockets (best druggability 0.65). MolNFT v1 #102081 on GenesisL1: 3D structure…

PDB: 4OB8
Type: protein
Length: 319 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ALPHA/BETA hydrolase fold-3 domain protein
EC: 3.1.1.-
UniProt: L7PYQ2
Pockets: 2 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ALPHA/BETA hydrolase fold-3 domain protein (EC 3.1.1.-)	protein	319	44% helix, 21% strand	L7PYQ2

Ligands and binding sites

MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	302	0.65	0.80	40	MPD
2	50	0.31	0.77	13	empty

Compared structures

4OB8 · Crystal structure of a novel thermostable esterase from Pseudomonas putida ECU1011 · 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 L7PYQ2
Elsewhere: RCSB PDB 4OB8 · PDBe 4OB8 · UniProt L7PYQ2

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