MolNFT v1 · #123613 · protein

Structure of limonene epoxide hydrolase mutant - H-2-H5 complex with (S,S)-cyclohexane-1,2-diol

5JPU: “Structure of limonene epoxide hydrolase mutant - H-2-H5 complex with (S,S)-cyclohexane-1,2-diol”. X-ray diffraction, 1 ligand (3ZQ), 1 pocket (best druggability 0.81). MolNFT v1 #123613 on GenesisL1: 3D structure, binding sites and…

PDB: 5JPU
Type: protein
Length: 236 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Limonene epoxide hydrolase
Ligands: 3ZQ
Pockets: 1 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Limonene epoxide hydrolase	protein	118	29% helix, 47% strand	—

Ligands and binding sites

3ZQ · (1S,2S)-cyclohexane-1,2-diol · ligand · 2 copies · chains A, B

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	1120	0.81	0.82	79	3ZQ

Interfaces

1 interface between chains.

A–B · 548 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

5JPU · Structure of limonene epoxide hydrolase mutant - H-2-H5 complex with… · 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 5JPU · PDBe 5JPU

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