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Crystal structure of hit family hydrolase from legionella pneumophila philadelphia 1

Analyse Crystal structure of hit family hydrolase from legionella pneumophila… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6D6J
Type: protein
Length: 225 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hit family hydrolase
UniProt: Q5ZRW1
Ligands: ZN, CL
Pockets: 2 · best druggability 0.43

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hit family hydrolase	protein	112	31% helix, 25% strand	Q5ZRW1
B	Hit family hydrolase	protein	113	28% helix, 25% strand	Q5ZRW1

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A, B
CL · Chloride ion · ion · 4 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	129	0.43	0.76	24	empty
2	102	0.38	0.75	24	empty

Interfaces

1 interface between chains.

A–B · 1864 Å² buried · 46 hydrogen bonds · protein-protein

Compared structures

6D6J · Crystal structure of HIT family hydrolase from Legionella pneumophila Philadelphia 1 · 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 Q5ZRW1
Elsewhere: RCSB PDB 6D6J · PDBe 6D6J · UniProt Q5ZRW1

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