MolNFT v1 · #52443 · protein

Structure of the L-2-haloacid dehalogenase from sulfolobus tokodaii

2W11 · 2-haloalkanoic acid dehalogenase: “Structure of the L-2-haloacid dehalogenase from sulfolobus tokodaii”. X-ray diffraction, 1 ligand (2OP), 2 pockets (best druggability 0.75). MolNFT v1 #52443 on GenesisL1: 3D structure, binding…

PDB: 2W11
Type: protein
Length: 410 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 2-haloalkanoic acid dehalogenase
EC: 3.8.1.2
UniProt: Q96XE7
Ligands: 2OP
Pockets: 2 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	2-haloalkanoic acid dehalogenase (EC 3.8.1.2)	protein	206	53% helix, 14% strand	Q96XE7
B	2-haloalkanoic acid dehalogenase (EC 3.8.1.2)	protein	204	52% helix, 14% strand	Q96XE7

Ligands and binding sites

2OP · (2S)-2-hydroxypropanoic acid · ligand · 2 copies · chains A, B

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	843	0.75	0.79	72	empty
2	55	0.32	0.77	10	empty

Interfaces

1 interface between chains.

A–B · 1225 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

2W11 · Structure of the L-2-haloacid dehalogenase from Sulfolobus tokodaii · 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 Q96XE7
Elsewhere: RCSB PDB 2W11 · PDBe 2W11 · UniProt Q96XE7

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