Structure of PDB 5wet Chain A Binding Site BS03

Receptor Information
>5wet Chain A (length=273) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHSLRYFVTAVSRPGFGEPRYMEVGYVDNTEFVRFDSDAENPRYEPRARW
IEQEGPEYWERETRRAKGNEQCFRVDLRTALRYYNQSAGGSHTLQWMAGC
DVESDGRLLRGYWQFAYDGCDYIALNEDLKTWTAADMAAQITRRKWEQAG
AAERDRAYLEGECVEWLRRYLKNGNATLLRTDPPKAHVTHHRRPEGDVTL
RCWALGFYPADITLTWQLNGEELTQEMELVETRPAGDGTFQKWASVVVPL
GKEQKYTCHVEHEGLPEPLTLRW
Ligand information
Ligand IDLEU
InChIInChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKeyROHFNLRQFUQHCH-YFKPBYRVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)O)N
CACTVS 3.341CC(C)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CC(C)C
CACTVS 3.341CC(C)C[CH](N)C(O)=O
FormulaC6 H13 N O2
NameLEUCINE
ChEMBLCHEMBL291962
DrugBankDB00149
ZINCZINC000003645145
PDB chain5wet Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5wet Crystal structure of a TAPBPR-MHC I complex reveals the mechanism of peptide editing in antigen presentation.
Resolution2.64 Å
Binding residue
(original residue number in PDB)		D77 Y84 Y123 T143 K146
Binding residue
(residue number reindexed from 1)		D76 Y83 Y122 T142 K145
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5wet, PDBe:5wet, PDBj:5wet
PDBsum5wet
PubMed29025991
UniProtP01900|HA12_MOUSE H-2 class I histocompatibility antigen, D-D alpha chain (Gene Name=H2-D1)

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