Structure analysis

Crystal Structure of ROCK 1 bound to YB-15-QD37

X-ray diffraction
2.8Å resolution
Source organism: Homo sapiens
Assemblies composition:
homo dimer (preferred)
homo tetramer
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1 (preferred)
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Multimeric state: homo dimer
Accessible surface area: 35398.14 Å2
Buried surface area: 4209.96 Å2
Dissociation area: 2,104.98 Å2
Dissociation energy (ΔGdiss): 27.39 kcal/mol
Dissociation entropy (TΔSdiss): 14.44 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-171700
Assembly 2
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Multimeric state: homo dimer
Accessible surface area: 34924.64 Å2
Buried surface area: 4136.11 Å2
Dissociation area: 2,068.05 Å2
Dissociation energy (ΔGdiss): 29.45 kcal/mol
Dissociation entropy (TΔSdiss): 14.42 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-171700
Assembly 3
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Multimeric state: homo tetramer
Accessible surface area: 68489.06 Å2
Buried surface area: 10179.8 Å2
Dissociation area: 916.86 Å2
Dissociation energy (ΔGdiss): -3.57 kcal/mol
Dissociation entropy (TΔSdiss): 14.92 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-171702

Macromolecules

Chains: A, B, C, D
Length: 411 amino acids
Theoretical weight: 47.38 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q13464 (Residues: 2-410; Coverage: 30%)
Gene name: ROCK1
Pfam: Protein kinase domain
InterPro:
CATH:

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