MolNFT v1 · #74383 · protein

Curcumin synthase 1 from curcuma longa

3OV2: “Curcumin synthase 1 from curcuma longa”. X-ray diffraction, 9 pockets (best druggability 0.79). MolNFT v1 #74383 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3OV2
Type: protein
Length: 1,559 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Curcumin synthase
UniProt: C0SVZ6
Pockets: 9 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, D	Curcumin synthase	protein	389	43% helix, 23% strand	C0SVZ6
C	Curcumin synthase	protein	392	43% helix, 23% strand	C0SVZ6

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 63 copies · chains A, B, D, C
MLI · Malonate ion · additive · 14 copies · chains A, B, C, D

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	348	0.79	0.89	47	MLI, EDO
2	982	0.79	0.81	98	EDO, MLI
3	361	0.77	0.87	43	MLI, EDO
4	355	0.76	0.86	47	MLI, EDO
5	349	0.75	0.86	47	MLI, EDO

Interfaces

4 interfaces between chains.

A–B · 3079 Å² buried · 53 hydrogen bonds · protein-protein
C–D · 3028 Å² buried · 59 hydrogen bonds · protein-protein
A–C · 322 Å² buried · 3 hydrogen bonds · protein-protein
B–D · 286 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

3OV2 · 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 D 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 3OV2 · PDBe 3OV2 · UniProt C0SVZ6

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