MolNFT v1 · #10697 · protein

Re-refinement of the structure of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis UT26 with 1,3-propanediol, a product of debromidation of dibrompropane, at 2.0A resolution

1IZ8 · Haloalkane dehalogenase, linb: “Re-refinement of the structure of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis UT26…”. X-ray diffraction, 2 ligands (CA, BR), 2 pockets (best druggability 0.74). MolNFT v1…

PDB: 1IZ8
Type: protein
Length: 294 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Haloalkane dehalogenase, linb
EC: 3.8.1.-
UniProt: P51698
Ligands: CA, BR
Pockets: 2 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Haloalkane dehalogenase, linb (EC 3.8.1.-)	protein	294	44% helix, 18% strand	P51698

Ligands and binding sites

CA · Calcium ion · metal · 3 copies · chains A
BR · Bromide ion · ion · chains A
PDO · 1,3-propandiol · 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	69	0.74	0.98	24	BR, PDO
2	56	0.34	0.78	17	empty

Compared structures

1IZ8 · Re-refinement of the structure of hydrolytic haloalkane dehalogenase linb from… · 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 P51698
Elsewhere: RCSB PDB 1IZ8 · PDBe 1IZ8 · UniProt P51698

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