MolNFT v1 · #92529 · protein

Crystal structure of an alpha-bisabolol synthase mutant

4GAX · Amorpha-4,11-diene synthase: “Crystal structure of an alpha-bisabolol synthase mutant”. X-ray diffraction, 9 pockets (best druggability 0.76). MolNFT v1 #92529 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4GAX
Type: protein
Length: 525 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Amorpha-4,11-diene synthase
EC: 4.2.3.24
Pockets: 9 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Amorpha-4,11-diene synthase (EC 4.2.3.24)	protein	525	73% helix, 0% strand	—

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	215	0.76	0.91	32	empty
2	482	0.69	0.80	42	empty
3	106	0.64	0.89	17	empty
4	295	0.59	0.78	33	empty
5	109	0.51	0.82	19	empty

Compared structures

4GAX · Crystal Structure of an alpha-Bisabolol synthase mutant · 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 4GAX · PDBe 4GAX

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