MolNFT v1 · #108631 · protein

Haloalkane dehalogenase dhaa mutant from rhodococcus rhodochrous (T148L+G171Q+A172V+C176G)

4WCV: “Haloalkane dehalogenase dhaa mutant from rhodococcus rhodochrous (T148L+G171Q+A172V+C176G)”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.69). MolNFT v1 #108631 on GenesisL1: 3D structure, binding sites and…

PDB: 4WCV
Type: protein
Length: 293 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Haloalkane dehalogenase
EC: 3.8.1.5
UniProt: P0A3G3
Ligands: CL
Pockets: 1 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Haloalkane dehalogenase (EC 3.8.1.5)	protein	293	46% helix, 19% strand	P0A3G3

Ligands and binding sites

CL · Chloride ion · ion · chains A
ACT · Acetate ion · additive · 2 copies · chains A
PGE · Triethylene glycol · 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	116	0.69	0.90	23	CL, PGE

Compared structures

4WCV · Haloalkane dehalogenase DhaA mutant from Rhodococcus rhodochrous (T148L+G171Q+A172V+C176G) · the same entry in another collection · chain A against A, TM-score 1.00
P0A3G3 · AlphaFold monomer V2.0 prediction for haloalkane dehalogenase (P0A3G3) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P0A3G3
Elsewhere: RCSB PDB 4WCV · PDBe 4WCV · UniProt P0A3G3

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