MolNFT v1 · #38861 · protein

Crystal structure of a thioesterase superfamily protein (CC_3309) from caulobacter vibrioides at 1.85 a resolution

2HBO · Hypothetical protein (NP_422103.1): “Crystal structure of a thioesterase superfamily protein (CC_3309) from caulobacter vibrioides at 1.85 a…”. X-ray diffraction, 1 pocket (best druggability 0.50). MolNFT v1 #38861 on GenesisL1: 3D…

PDB: 2HBO
Type: protein
Length: 142 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical protein (NP_422103.1)
UniProt: Q9A395
Pockets: 1 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hypothetical protein (NP_422103.1)	protein	142	20% helix, 45% strand	Q9A395

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 2 copies · chains A
PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	166	0.50	0.78	21	empty

Modifications

Observed in the structure: 5 modified (engineered).

Compared structures

2HBO · Crystal structure of a thioesterase superfamily protein (cc_3309) from caulobacter… · 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 Q9A395
Elsewhere: RCSB PDB 2HBO · PDBe 2HBO · UniProt Q9A395

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