MolNFT v1 · #125815 · protein

Crystal structure of haloalkane dehalogenase linb 140A+143L+177W+211L mutant (LINB86) from sphingobium japonicum UT26 at 1.3 a resolution

5LKA: “Crystal structure of haloalkane dehalogenase linb 140A+143L+177W+211L mutant (LINB86) from sphingobium…”. X-ray diffraction, 1 ligand (SCN), 1 pocket (best druggability 0.34). MolNFT v1 #125815 on GenesisL1: 3D structure, binding…

PDB: 5LKA
Type: protein
Length: 301 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Haloalkane dehalogenase
EC: 3.8.1.5
UniProt: D4Z2G1
Ligands: SCN
Pockets: 1 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Haloalkane dehalogenase (EC 3.8.1.5)	protein	301	43% helix, 19% strand	D4Z2G1

Ligands and binding sites

SCN · Thiocyanate ion · ion · 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	55	0.34	0.78	16	empty

Compared structures

5LKA · Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86)… · the same entry in another collection · chain A against A, TM-score 1.00
D4Z2G1 · AlphaFold monomer V2.0 prediction for haloalkane dehalogenase (D4Z2G1) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 D4Z2G1
Elsewhere: RCSB PDB 5LKA · PDBe 5LKA · UniProt D4Z2G1

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