Structure analysis

X-ray structure of p38alpha bound to VX-745

X-ray diffraction
2.4Å resolution
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1 (preferred)
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Multimeric state: monomeric
Accessible surface area: 16070.76 Å2
Buried surface area: 715.86 Å2
Dissociation area: 357.93 Å2
Dissociation energy (ΔGdiss): -7.4 kcal/mol
Dissociation entropy (TΔSdiss): 4.2 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-172487
    Assembly 1
Confidence : 12%
No. subunits : 1
Symmetry : None

Macromolecules

PDBe-KB: UniProt Coverage View: Q16539  
136250100150200250300350
 
100200300GSHSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES
UniProt
Q16539
Chains
Domains
Secondary structure
Flexibility predictions
Topology annotations
Early folding residue predictions
Ligand binding sites
Sequence conservation

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