Research workbench

Cannabis sativa bibenzyl synthase

Analyse Cannabis sativa bibenzyl synthase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7SGY
Type: protein
Length: 770 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bibenzyl synthase
UniProt: A0A803NJB5
Ligands: CL
Pockets: 7 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bibenzyl synthase	protein	383	43% helix, 23% strand	A0A803NJB5
B	Bibenzyl synthase	protein	387	40% helix, 22% strand	A0A803NJB5

Ligands and binding sites

CL · Chloride ion · ion · 2 copies · chains A, B

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

Pockets

7 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	95	0.76	0.97	24	empty
2	78	0.74	0.97	24	empty
3	216	0.68	0.85	31	empty
4	199	0.62	0.82	30	empty
5	182	0.50	0.77	28	CL

Interfaces

1 interface between chains.

A–B · 3016 Å² buried · 61 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (oxidation).

Compared structures

7SGY · Cannabis sativa bibenzyl synthase · 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
Every structure of UniProt A0A803NJB5
Elsewhere: RCSB PDB 7SGY · PDBe 7SGY · UniProt A0A803NJB5

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