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Crystal Structure of HLA B*4403 in complex with EEYLKAWTF, a mimotope

X-ray diffraction
2.3Å resolution
PDB entry 3kpo coloured by chain, front view.
PDB entry 3kpo coloured by chain, side view.
PDB entry 3kpo coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero trimer (preferred)
Entry contents: 3 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Major Histocompatibility Complex
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Multimeric state: hetero trimer
Accessible surface area: 19018.5 Å2
Buried surface area: 4566.69 Å2
Dissociation area: 964.33 Å2
Dissociation energy (ΔGdiss): 8.95 kcal/mol
Dissociation entropy (TΔSdiss): 7.7 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-135196

Macromolecules

HLA class I histocompatibility antigen, B alpha chain
Chain: A
Length: 276 amino acids
Theoretical weight: 31.98 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P01889 (Residues: 25-300; Coverage: 82%)
Gene names: HLA-B, HLAB
Pfam:
InterPro:
CATH:
HLA class I histocompatibility antigen, B alpha chain in PDB entry 3kpo, assembly 1, front view.
HLA class I histocompatibility antigen, B alpha chain in PDB entry 3kpo, assembly 1, side view.
HLA class I histocompatibility antigen, B alpha chain in PDB entry 3kpo, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P01889  
127620406080100120140160180200220240260
 
100200GSHSMRYFYTAMSRPGRGEPRFITVGYVDDTLFVRFDSDATSPRKEPRAPWIEQEGPEYWDRETQISKTNTQTYRENLRTALRYYNQSEAGSHIIQRMYGCDVGPDGRLLRGYDQDAYDGKDYIALNEDLSSWTAADTAAQITQRKWEAARVAEQLRAYLEGLCVESLRRYLENGKETLQRADPPKTHVTHHPISDHEVTLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEP
UniProt
P01889
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Interaction interfaces
Sequence conservation
Molecule details ›

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Beta-2-microglobulin
Chain: B
Length: 100 amino acids
Theoretical weight: 11.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P61769 (Residues: 21-119; Coverage: 100%)
Gene names: B2M, CDABP0092, HDCMA22P
Pfam: Immunoglobulin C1-set domain
InterPro:
CATH: Immunoglobulins
Beta-2-microglobulin in PDB entry 3kpo, assembly 1, front view.
Beta-2-microglobulin in PDB entry 3kpo, assembly 1, side view.
Beta-2-microglobulin in PDB entry 3kpo, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P61769  
1100102030405060708090100
 
50100MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM
UniProt
P61769
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Interaction interfaces
Sequence conservation
Molecule details ›

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EEYLKAWTF, mimotope peptide
Chain: C
Length: 9 amino acids
Theoretical weight: 1.19 KDa
EEYLKAWTF, mimotope peptide in PDB entry 3kpo, assembly 1, front view.
EEYLKAWTF, mimotope peptide in PDB entry 3kpo, assembly 1, side view.
EEYLKAWTF, mimotope peptide in PDB entry 3kpo, assembly 1, top view.
19123456789
 
246810EEYLKAWTF
Chains
Chain C (auth C)
Flexibility predictions
Interaction interfaces
Molecule details ›

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