Research workbench

Abietadiene synthase from abies grandis

Analyse Abietadiene synthase from abies grandis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3S9V
Type: protein
Length: 3,028 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Abietadiene synthase, chloroplastic
EC: 4.2.3.18, 5.5.1.12
UniProt: Q38710
Pockets: 20 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 65% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	Abietadiene synthase, chloroplastic (EC 4.2.3.18, 5.5.1.12)	protein	755	64% helix, 1% strand	Q38710
B, C	Abietadiene synthase, chloroplastic (EC 4.2.3.18, 5.5.1.12)	protein	759	65% helix, 1% strand	Q38710

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	998	0.86	0.87	98	empty
2	1040	0.86	0.87	102	empty
3	1018	0.80	0.82	105	empty
4	523	0.80	0.87	51	empty
5	557	0.80	0.86	52	empty

Interfaces

3 interfaces between chains.

C–D · 1058 Å² buried · 9 hydrogen bonds · protein-protein
A–B · 1052 Å² buried · 8 hydrogen bonds · protein-protein
B–C · 255 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

3S9V · abietadiene synthase from Abies grandis · the same entry in another collection · chain A against A, TM-score 1.00
Q38710 · AlphaFold monomer V2.0 prediction for bifunctional abietadiene synthase, chloroplastic… · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q38710
Elsewhere: RCSB PDB 3S9V · PDBe 3S9V · UniProt Q38710

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