MolNFT v1 · #1840 · protein

Haloalkane dehalogenase at pH 5.0 containing acetic acid

1BE0: “Haloalkane dehalogenase at pH 5.0 containing acetic acid”. X-ray diffraction, 1 pocket (best druggability 0.35). MolNFT v1 #1840 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1BE0
Type: protein
Length: 310 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Haloalkane dehalogenase
EC: 3.8.1.5
UniProt: P22643
Pockets: 1 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Haloalkane dehalogenase (EC 3.8.1.5)	protein	310	43% helix, 17% strand	P22643

Ligands and binding sites

ACT · Acetate ion · additive · chains A
ACY · Acetic acid · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	52	0.35	0.78	17	empty

Compared structures

1BE0 · Haloalkane dehalogenase at pH 5.0 containing acetic acid · the same entry in another collection · chain A against A, TM-score 1.00
P22643 · AlphaFold monomer V2.0 prediction for haloalkane dehalogenase (P22643) · 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 P22643
Elsewhere: RCSB PDB 1BE0 · PDBe 1BE0 · UniProt P22643

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