3OV2

Curcumin synthase 1 from Curcuma longa

PDB DOI: https://doi.org/10.2210/pdb3OV2/pdb

Classification: TRANSFERASE
Organism(s): Curcuma longa
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2010-09-15 Released: 2010-12-08
Deposition Author(s): Katsuyama, Y., Miyazono, K., Tanokura, M., Ohnishi, Y., Horinouchi, S.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.32 Å
R-Value Free: 0.235
R-Value Work: 0.183
R-Value Observed: 0.186

wwPDB Validation 3D Report Full Report

This is version 1.2 of the entry. See complete history.

Literature

A hydrophobic cavity discovered in a curcumin synthase facilitates utilization of a beta-keto acid as an extender substrate for the atypical type III polyleteide synthase

Katsuyama, Y., Miyazono, K., Tanokura, M., Ohnishi, Y., Horinouchi, S.

To be published.

Macromolecule Content

Total Structure Weight: 179.89 kDa
Atom Count: 13,043
Modelled Residue Count: 1,559
Deposited Residue Count: 1,572
Unique protein chains: 1

Macromolecules

Find similar proteins by:

(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Curcumin synthase	A, B, C, D	393	Curcuma longa	Mutation(s): 0 Gene Names: CURS1
UniProt
Find proteins for C0SVZ6 (Curcuma longa) Explore C0SVZ6 Go to UniProtKB: C0SVZ6
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	C0SVZ6
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
MLI Query on MLI Download Ideal Coordinates CCD File SDF format, chain DA [auth B] SDF format, chain H [auth A] SDF format, chain LB [auth D] SDF format, chain CA [auth B] SDF format, chain E [auth A] SDF format, chain EA [auth B] SDF format, chain F [auth A] SDF format, chain FA [auth B] SDF format, chain G [auth A] SDF format, chain I [auth A] SDF format, chain MB [auth D] SDF format, chain NB [auth D] SDF format, chain OB [auth D] SDF format, chain XA [auth C] MOL2 format, chain DA [auth B] MOL2 format, chain H [auth A] MOL2 format, chain LB [auth D] MOL2 format, chain CA [auth B] MOL2 format, chain E [auth A] MOL2 format, chain EA [auth B] MOL2 format, chain F [auth A] MOL2 format, chain FA [auth B] MOL2 format, chain G [auth A] MOL2 format, chain I [auth A] MOL2 format, chain MB [auth D] MOL2 format, chain NB [auth D] MOL2 format, chain OB [auth D] MOL2 format, chain XA [auth C]	CA [auth B] DA [auth B] E [auth A] EA [auth B] F [auth A] CA [auth B], DA [auth B], E [auth A], EA [auth B], F [auth A], FA [auth B], G [auth A], H [auth A], I [auth A], LB [auth D], MB [auth D], NB [auth D], OB [auth D], XA [auth C]	MALONATE ION C₃ H₂ O₄ OFOBLEOULBTSOW-UHFFFAOYSA-L		Interactions Focus chain CA [auth B] Focus chain DA [auth B] Focus chain E [auth A] Focus chain EA [auth B] Focus chain F [auth A] Focus chain FA [auth B] Focus chain G [auth A] Focus chain H [auth A] Focus chain I [auth A] Focus chain LB [auth D] Focus chain MB [auth D] Focus chain NB [auth D] Focus chain OB [auth D] Focus chain XA [auth C] Interactions & Density Focus chain CA [auth B] Focus chain DA [auth B] Focus chain E [auth A] Focus chain EA [auth B] Focus chain F [auth A] Focus chain FA [auth B] Focus chain G [auth A] Focus chain H [auth A] Focus chain I [auth A] Focus chain LB [auth D] Focus chain MB [auth D] Focus chain NB [auth D] Focus chain OB [auth D] Focus chain XA [auth C]
EDO Query on EDO Download Ideal Coordinates CCD File SDF format, chain AA [auth A] SDF format, chain BC [auth D] SDF format, chain CB [auth C] SDF format, chain GB [auth C] SDF format, chain HA [auth B] SDF format, chain HB [auth C] SDF format, chain IA [auth B] SDF format, chain KA [auth B] SDF format, chain KB [auth C] SDF format, chain P [auth A] SDF format, chain QA [auth B] SDF format, chain QB [auth D] SDF format, chain R [auth A] SDF format, chain RA [auth B] SDF format, chain TB [auth D] SDF format, chain VB [auth D] SDF format, chain W [auth A] SDF format, chain Y [auth A] SDF format, chain Z [auth A] SDF format, chain AB [auth C] SDF format, chain AC [auth D] SDF format, chain BA [auth A] SDF format, chain BB [auth C] SDF format, chain CC [auth D] SDF format, chain DB [auth C] SDF format, chain EB [auth C] SDF format, chain FB [auth C] SDF format, chain GA [auth B] SDF format, chain IB [auth C] SDF format, chain J [auth A] SDF format, chain JA [auth B] SDF format, chain JB [auth C] SDF format, chain K [auth A] SDF format, chain L [auth A] SDF format, chain LA [auth B] SDF format, chain M [auth A] SDF format, chain MA [auth B] SDF format, chain N [auth A] SDF format, chain NA [auth B] SDF format, chain O [auth A] SDF format, chain OA [auth B] SDF format, chain PA [auth B] SDF format, chain PB [auth D] SDF format, chain Q [auth A] SDF format, chain RB [auth D] SDF format, chain S [auth A] SDF format, chain SA [auth B] SDF format, chain SB [auth D] SDF format, chain T [auth A] SDF format, chain TA [auth B] SDF format, chain U [auth A] SDF format, chain UA [auth B] SDF format, chain UB [auth D] SDF format, chain V [auth A] SDF format, chain VA [auth B] SDF format, chain WA [auth B] SDF format, chain WB [auth D] SDF format, chain X [auth A] SDF format, chain XB [auth D] SDF format, chain YA [auth C] SDF format, chain YB [auth D] SDF format, chain ZA [auth C] SDF format, chain ZB [auth D] MOL2 format, chain AA [auth A] MOL2 format, chain BC [auth D] MOL2 format, chain CB [auth C] MOL2 format, chain GB [auth C] MOL2 format, chain HA [auth B] MOL2 format, chain HB [auth C] MOL2 format, chain IA [auth B] MOL2 format, chain KA [auth B] MOL2 format, chain KB [auth C] MOL2 format, chain P [auth A] MOL2 format, chain QA [auth B] MOL2 format, chain QB [auth D] MOL2 format, chain R [auth A] MOL2 format, chain RA [auth B] MOL2 format, chain TB [auth D] MOL2 format, chain VB [auth D] MOL2 format, chain W [auth A] MOL2 format, chain Y [auth A] MOL2 format, chain Z [auth A] MOL2 format, chain AB [auth C] MOL2 format, chain AC [auth D] MOL2 format, chain BA [auth A] MOL2 format, chain BB [auth C] MOL2 format, chain CC [auth D] MOL2 format, chain DB [auth C] MOL2 format, chain EB [auth C] MOL2 format, chain FB [auth C] MOL2 format, chain GA [auth B] MOL2 format, chain IB [auth C] MOL2 format, chain J [auth A] MOL2 format, chain JA [auth B] MOL2 format, chain JB [auth C] MOL2 format, chain K [auth A] MOL2 format, chain L [auth A] MOL2 format, chain LA [auth B] MOL2 format, chain M [auth A] MOL2 format, chain MA [auth B] MOL2 format, chain N [auth A] MOL2 format, chain NA [auth B] MOL2 format, chain O [auth A] MOL2 format, chain OA [auth B] MOL2 format, chain PA [auth B] MOL2 format, chain PB [auth D] MOL2 format, chain Q [auth A] MOL2 format, chain RB [auth D] MOL2 format, chain S [auth A] MOL2 format, chain SA [auth B] MOL2 format, chain SB [auth D] MOL2 format, chain T [auth A] MOL2 format, chain TA [auth B] MOL2 format, chain U [auth A] MOL2 format, chain UA [auth B] MOL2 format, chain UB [auth D] MOL2 format, chain V [auth A] MOL2 format, chain VA [auth B] MOL2 format, chain WA [auth B] MOL2 format, chain WB [auth D] MOL2 format, chain X [auth A] MOL2 format, chain XB [auth D] MOL2 format, chain YA [auth C] MOL2 format, chain YB [auth D] MOL2 format, chain ZA [auth C] MOL2 format, chain ZB [auth D]	AA [auth A] AB [auth C] AC [auth D] BA [auth A] BB [auth C] AA [auth A], AB [auth C], AC [auth D], BA [auth A], BB [auth C], BC [auth D], CB [auth C], CC [auth D], DB [auth C], EB [auth C], FB [auth C], GA [auth B], GB [auth C], HA [auth B], HB [auth C], IA [auth B], IB [auth C], J [auth A], JA [auth B], JB [auth C], K [auth A], KA [auth B], KB [auth C], L [auth A], LA [auth B], M [auth A], MA [auth B], N [auth A], NA [auth B], O [auth A], OA [auth B], P [auth A], PA [auth B], PB [auth D], Q [auth A], QA [auth B], QB [auth D], R [auth A], RA [auth B], RB [auth D], S [auth A], SA [auth B], SB [auth D], T [auth A], TA [auth B], TB [auth D], U [auth A], UA [auth B], UB [auth D], V [auth A], VA [auth B], VB [auth D], W [auth A], WA [auth B], WB [auth D], X [auth A], XB [auth D], Y [auth A], YA [auth C], YB [auth D], Z [auth A], ZA [auth C], ZB [auth D]	1,2-ETHANEDIOL C₂ H₆ O₂ LYCAIKOWRPUZTN-UHFFFAOYSA-N		Interactions Focus chain AA [auth A] Focus chain AB [auth C] Focus chain AC [auth D] Focus chain BA [auth A] Focus chain BB [auth C] Focus chain BC [auth D] Focus chain CB [auth C] Focus chain CC [auth D] Focus chain DB [auth C] Focus chain EB [auth C] Focus chain FB [auth C] Focus chain GA [auth B] Focus chain GB [auth C] Focus chain HA [auth B] Focus chain HB [auth C] Focus chain IA [auth B] Focus chain IB [auth C] Focus chain J [auth A] Focus chain JA [auth B] Focus chain JB [auth C] Focus chain K [auth A] Focus chain KA [auth B] Focus chain KB [auth C] Focus chain L [auth A] Focus chain LA [auth B] Focus chain M [auth A] Focus chain MA [auth B] Focus chain N [auth A] Focus chain NA [auth B] Focus chain O [auth A] Focus chain OA [auth B] Focus chain P [auth A] Focus chain PA [auth B] Focus chain PB [auth D] Focus chain Q [auth A] Focus chain QA [auth B] Focus chain QB [auth D] Focus chain R [auth A] Focus chain RA [auth B] Focus chain RB [auth D] Focus chain S [auth A] Focus chain SA [auth B] Focus chain SB [auth D] Focus chain T [auth A] Focus chain TA [auth B] Focus chain TB [auth D] Focus chain U [auth A] Focus chain UA [auth B] Focus chain UB [auth D] Focus chain V [auth A] Focus chain VA [auth B] Focus chain VB [auth D] Focus chain W [auth A] Focus chain WA [auth B] Focus chain WB [auth D] Focus chain X [auth A] Focus chain XB [auth D] Focus chain Y [auth A] Focus chain YA [auth C] Focus chain YB [auth D] Focus chain Z [auth A] Focus chain ZA [auth C] Focus chain ZB [auth D] Interactions & Density Focus chain AA [auth A] Focus chain AB [auth C] Focus chain AC [auth D] Focus chain BA [auth A] Focus chain BB [auth C] Focus chain BC [auth D] Focus chain CB [auth C] Focus chain CC [auth D] Focus chain DB [auth C] Focus chain EB [auth C] Focus chain FB [auth C] Focus chain GA [auth B] Focus chain GB [auth C] Focus chain HA [auth B] Focus chain HB [auth C] Focus chain IA [auth B] Focus chain IB [auth C] Focus chain J [auth A] Focus chain JA [auth B] Focus chain JB [auth C] Focus chain K [auth A] Focus chain KA [auth B] Focus chain KB [auth C] Focus chain L [auth A] Focus chain LA [auth B] Focus chain M [auth A] Focus chain MA [auth B] Focus chain N [auth A] Focus chain NA [auth B] Focus chain O [auth A] Focus chain OA [auth B] Focus chain P [auth A] Focus chain PA [auth B] Focus chain PB [auth D] Focus chain Q [auth A] Focus chain QA [auth B] Focus chain QB [auth D] Focus chain R [auth A] Focus chain RA [auth B] Focus chain RB [auth D] Focus chain S [auth A] Focus chain SA [auth B] Focus chain SB [auth D] Focus chain T [auth A] Focus chain TA [auth B] Focus chain TB [auth D] Focus chain U [auth A] Focus chain UA [auth B] Focus chain UB [auth D] Focus chain V [auth A] Focus chain VA [auth B] Focus chain VB [auth D] Focus chain W [auth A] Focus chain WA [auth B] Focus chain WB [auth D] Focus chain X [auth A] Focus chain XB [auth D] Focus chain Y [auth A] Focus chain YA [auth C] Focus chain YB [auth D] Focus chain Z [auth A] Focus chain ZA [auth C] Focus chain ZB [auth D]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.32 Å
R-Value Free: 0.235
R-Value Work: 0.183
R-Value Observed: 0.186
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 77.18	α = 90
b = 115.81	β = 90
c = 221.24	γ = 90

Software Package:

Software Name	Purpose
XSCALE	data scaling
REFMAC	refinement
PDB_EXTRACT	data extraction
XDS	data reduction
MOLREP	phasing

Structure Validation

View Full Validation Report

Entry History

Deposition Data

Released Date: 2010-12-08

Deposition Author(s):

Revision History (Full details and data files)

Version 1.0: 2010-12-08
Type: Initial release
Version 1.1: 2011-07-13
Changes: Version format compliance
Version 1.2: 2024-03-20
Changes: Data collection, Database references, Derived calculations