› › Structure analysis

Crystal Structure of Human Thymidyalte Synthase M190K with Loop 181-197 stabilized in the inactive conformation

X-ray diffraction
2Å resolution
PDB entry 3ehi coloured by chain, front view.
PDB entry 3ehi coloured by chain, side view.
PDB entry 3ehi coloured by chain, top view.
Source organism: Homo sapiens
Assemblies composition:
homo dimer
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

Quick links

Assemblies

Assembly 1
Download    3D Visualisation
Assembly Name: Thymidylate synthase
hide full assembly name
Multimeric state: homo dimer
Accessible surface area: 23983.88 Å2
Buried surface area: 5575.36 Å2
Dissociation area: 2,277.53 Å2
Dissociation energy (ΔGdiss): 45.22 kcal/mol
Dissociation entropy (TΔSdiss): 13.79 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-138196
Homo dimeric assembly 1 of PDB entry 3ehi coloured by chemically distinct molecules, front view.
Homo dimeric assembly 1 of PDB entry 3ehi coloured by chemically distinct molecules, side view.
Homo dimeric assembly 1 of PDB entry 3ehi coloured by chemically distinct molecules, top view.
    Assembly 1
Confidence : 98%
No. subunits : 2
Symmetry : C2
More details
3DComplex & QSbio predictionx
No. subunits : 2
Symmetry : C2
Evidence : Interface geometry is similar to that of 1vzc_1 (43% id)
Assembly 2 (preferred)
Download    3D Visualisation
Assembly Name: Thymidylate synthase
hide full assembly name
Multimeric state: monomeric
Accessible surface area: 14260.41 Å2
Buried surface area: 521.6 Å2
Dissociation area: 106.07 Å2
Dissociation energy (ΔGdiss): -2.09 kcal/mol
Dissociation entropy (TΔSdiss): -0.24 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-138193
Monomeric assembly 2 of PDB entry 3ehi coloured by chemically distinct molecules, front view.
Monomeric assembly 2 of PDB entry 3ehi coloured by chemically distinct molecules, side view.
Monomeric assembly 2 of PDB entry 3ehi coloured by chemically distinct molecules, top view.
    Assembly 2
Confidence : 12%
No. subunits : 1
Symmetry : None
More details
3DComplex & QSbio predictionx
No. subunits : 2
Symmetry : C2
Evidence : Sequence is/are identical to 3ehi_1 (which is supposedly correct) suggesting that interface(s) is/are missing

Macromolecules

Thymidylate synthase
Chain: X
Length: 313 amino acids
Theoretical weight: 35.91 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P04818 (Residues: 1-313; Coverage: 100%)
Gene names: OK/SW-cl.29, TS, TYMS
Pfam: Thymidylate synthase
InterPro:
CATH: Thymidylate synthase/dCMP hydroxymethylase domain
Thymidylate synthase in PDB entry 3ehi, assembly 2, front view.
Thymidylate synthase in PDB entry 3ehi, assembly 2, side view.
Thymidylate synthase in PDB entry 3ehi, assembly 2, top view.
PDBe-KB: UniProt Coverage View: P04818  
131320406080100120140160180200220240260280300
 
100200300MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMCMEAWNPRDLPLKALPPCHALCMEQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKME
UniProt
P04818
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Sequence conservation
Molecule details ›

Search similar proteins

Quick links