MolNFT v1 · #113539 · protein

Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic libraries. CH55-sample-native

5AIH: “Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot spring metagenomic…”. X-ray diffraction, 3 pockets (best druggability 0.75). MolNFT v1 #113539 on GenesisL1: 3D structure, binding sites and…

PDB: 5AIH
Type: protein
Length: 250 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Limonene-1,2-epoxide hydrolase
EC: 3.3.2.8
Pockets: 3 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Limonene-1,2-epoxide hydrolase (EC 3.3.2.8)	protein	125	28% helix, 47% strand	—

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 13 copies · chains A, B
DMS · Dimethyl sulfoxide · additive · 6 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 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	174	0.75	0.91	28	DMS
2	122	0.63	0.86	28	DMS
3	53	0.36	0.79	11	empty

Interfaces

1 interface between chains.

A–B · 944 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

5AIH · Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot… · 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 5AIH · PDBe 5AIH

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