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ZHD complex with hydrolyzed alpha-ZOL

Analyse ZHD complex with hydrolyzed alpha-ZOL in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6JRC
Type: protein
Length: 537 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.65
Source: Clonostachys rosea
Molecule: Zearalenone hydrolase
Ligands: C3L, K
Pockets: 2 · best druggability 0.76

Structure

x-ray diffraction · resolution 1.65 · 2 distinct chains · 50% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Zearalenone hydrolase	protein	268	50% helix, 18% strand	—
B	Zearalenone hydrolase	protein	269	51% helix, 18% strand	—

Ligands and binding sites

C3L · 2-[(~{E},6~{R},10~{S})-6,10-bis(oxidanyl)undec-1-enyl]-4,6-bis(oxidanyl)benzoic acid · ligand · 2 copies · chains A, B
K · Potassium ion · metal · 2 copies · chains A, B
GOL · Glycerol · additive · 6 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	279	0.76	0.88	33	C3L
2	295	0.74	0.86	34	C3L

Interfaces

1 interface between chains.

A–B · 637 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

6JRC · Zhd complex with hydrolyzed alpha-zol · 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
Elsewhere: RCSB PDB 6JRC · PDBe 6JRC

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