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Crystal structure of Symfoil-4P/PV1: de novo designed beta-trefoil architecture with symmetric primary structure, primitive version 1

X-ray diffraction
1.4Å resolution
PDB entry 3q7x coloured by chain, front view.
PDB entry 3q7x coloured by chain, side view.
PDB entry 3q7x coloured by chain, top view.
Source organism: Synthetic construct
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: De novo designed beta-trefoil architecture with symmetric primary structure
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Multimeric state: monomeric
Accessible surface area: 6147.87 Å2
Buried surface area: 432.58 Å2
Dissociation area: 143.39 Å2
Dissociation energy (ΔGdiss): -0.52 kcal/mol
Dissociation entropy (TΔSdiss): 1.57 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-163919
Monomeric assembly 1 of PDB entry 3q7x coloured by chemically distinct molecules, front view.
Monomeric assembly 1 of PDB entry 3q7x coloured by chemically distinct molecules, side view.
Monomeric assembly 1 of PDB entry 3q7x coloured by chemically distinct molecules, top view.
    Assembly 1
Confidence : 95%
No. subunits : 1
Symmetry : None
More details
3DComplex & QSbio predictionx
No. subunits : 1
Symmetry : None
Evidence : This biological assembly agrees with the prediction of both PISA & EPPIC

Macromolecules

de novo designed beta-trefoil architecture with symmetric primary structure
Chain: A
Length: 132 amino acids
Theoretical weight: 14.53 KDa
Source organism: Synthetic construct
Expression system: Not provided
InterPro:
CATH: Trefoil (Acidic Fibroblast Growth Factor, subunit A)
de novo designed beta-trefoil architecture with symmetric primary structure in PDB entry 3q7x, assembly 1, front view.
de novo designed beta-trefoil architecture with symmetric primary structure in PDB entry 3q7x, assembly 1, side view.
de novo designed beta-trefoil architecture with symmetric primary structure in PDB entry 3q7x, assembly 1, top view.
1132102030405060708090100110120130
 
50100
Chains
RSRZ Outlier Chain A (auth A)
Chain A (auth A)
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Molecule details ›

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