Research workbench

G211F mutant of curcumin synthase 1 from curcuma longa

Analyse G211F mutant of curcumin synthase 1 from curcuma longa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3OV3
Type: protein
Length: 1,556 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Curcumin synthase
UniProt: C0SVZ6
Pockets: 14 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 43% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Curcumin synthase	protein	387	43% helix, 24% strand	C0SVZ6
B, D	Curcumin synthase	protein	389	42% helix, 23% strand	C0SVZ6
C	Curcumin synthase	protein	391	45% helix, 23% strand	C0SVZ6

Ligands and binding sites

MLI · Malonate ion · additive · 10 copies · chains A, C, D

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

Pockets

14 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	266	0.77	0.89	38	empty
2	685	0.74	0.80	67	empty
3	309	0.73	0.85	40	empty
4	312	0.73	0.85	37	MLI
5	288	0.73	0.86	38	MLI

Interfaces

4 interfaces between chains.

C–D · 3015 Å² buried · 57 hydrogen bonds · protein-protein
A–B · 2952 Å² buried · 61 hydrogen bonds · protein-protein
A–C · 312 Å² buried · 2 hydrogen bonds · protein-protein
B–D · 295 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

3OV3 · G211F mutant of curcumin synthase 1 from Curcuma longa · the same entry in another collection · chain D against D, TM-score 1.00
C0SVZ6 · AlphaFold monomer V2.0 prediction for curcumin synthase 1 (C0SVZ6) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 C0SVZ6
Elsewhere: RCSB PDB 3OV3 · PDBe 3OV3 · UniProt C0SVZ6

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