7UOD

Crystal structure of a lectin from Canavalia maritima seed (ConM) complexed with 2,4-dichloro-phenoxyacetic acid


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.60 Å
  • R-Value Free: 0.227 
  • R-Value Work: 0.199 
  • R-Value Observed: 0.200 

Starting Model: experimental
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wwPDB Validation   3D Report Full Report


Ligand Structure Quality Assessment 


This is version 1.2 of the entry. See complete history


Literature

Structural analysis of Canavalia maritima lectin complexed with auxins

Sousa, J.P.Bezerra, E.H.S.Sales, M.V.Queiroz, P.P.da Silva, F.M.S.Carvalho, C.P.S.Freire, V.N.Rocha, B.A.M.

To be published.

Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
ConM
A, B
237Canavalia roseaMutation(s): 0 
UniProt
Find proteins for A0A8E6Z6W6 (Canavalia rosea)
Explore A0A8E6Z6W6 
Go to UniProtKB:  A0A8E6Z6W6
Find proteins for A0A6M6R659 (Canavalia rosea)
Explore A0A6M6R659 
Go to UniProtKB:  A0A6M6R659
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupsA0A6M6R659A0A8E6Z6W6
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 7 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
CFA (Subject of Investigation/LOI)
Query on CFA

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N [auth B](2,4-DICHLOROPHENOXY)ACETIC ACID
C8 H6 Cl2 O3
OVSKIKFHRZPJSS-UHFFFAOYSA-N
PEG
Query on PEG

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G [auth A],
O [auth B]
DI(HYDROXYETHYL)ETHER
C4 H10 O3
MTHSVFCYNBDYFN-UHFFFAOYSA-N
DBB (Subject of Investigation/LOI)
Query on DBB

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C [auth A],
J [auth B]
D-ALPHA-AMINOBUTYRIC ACID
C4 H9 N O2
QWCKQJZIFLGMSD-GSVOUGTGSA-N
GOL
Query on GOL

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F [auth A],
M [auth B]
GLYCEROL
C3 H8 O3
PEDCQBHIVMGVHV-UHFFFAOYSA-N
MN
Query on MN

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E [auth A],
L [auth B]
MANGANESE (II) ION
Mn
WAEMQWOKJMHJLA-UHFFFAOYSA-N
CA
Query on CA

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D [auth A],
K [auth B]
CALCIUM ION
Ca
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
CL
Query on CL

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H [auth A],
I [auth A],
P [auth B],
Q [auth B]
CHLORIDE ION
Cl
VEXZGXHMUGYJMC-UHFFFAOYSA-M
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.60 Å
  • R-Value Free: 0.227 
  • R-Value Work: 0.199 
  • R-Value Observed: 0.200 
  • Space Group: P 21 2 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 68.182α = 90
b = 71.83β = 90
c = 98.809γ = 90
Software Package:
Software NamePurpose
autoPROCdata reduction
Aimlessdata scaling
PHASERphasing
PDB-REDOrefinement
PHENIXrefinement

Structure Validation

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Ligand Structure Quality Assessment 


Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
Brazilian National Council for Scientific and Technological Development (CNPq)Brazil313837/2020-1

Revision History  (Full details and data files)

  • Version 1.0: 2023-04-19
    Type: Initial release
  • Version 1.1: 2023-10-25
    Changes: Data collection, Refinement description
  • Version 1.2: 2023-11-15
    Changes: Data collection