MolNFT v1 · #81292 · protein

Crystal structure of the L-2-haloacid dehalogenase RSC1362

3UMB · Dehalogenase-like hydrolase: “Crystal structure of the L-2-haloacid dehalogenase RSC1362”. X-ray diffraction, 4 ligands (K, MG, NA), 1 pocket (best druggability 0.59). MolNFT v1 #81292 on GenesisL1: 3D structure, binding sites and…

PDB: 3UMB
Type: protein
Length: 227 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dehalogenase-like hydrolase
EC: 3.8.1.2
UniProt: Q8XZN3
Ligands: K, MG, NA, CL
Pockets: 1 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dehalogenase-like hydrolase (EC 3.8.1.2)	protein	227	49% helix, 14% strand	Q8XZN3

Ligands and binding sites

K · Potassium ion · metal · 2 copies · chains A
MG · Magnesium ion · metal · 2 copies · chains A
NA · Sodium ion · metal · chains A
CL · Chloride ion · ion · 3 copies · 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	332	0.59	0.77	31	CL

Modifications

Observed in the structure: 5 modified (engineered).

Compared structures

3UMB · Crystal Structure of the L-2-Haloacid Dehalogenase RSc1362 · 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 Q8XZN3
Elsewhere: RCSB PDB 3UMB · PDBe 3UMB · UniProt Q8XZN3

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