Structure of PDB 7byd Chain F Binding Site BS02
Receptor Information
>7byd Chain F (length=276) Species:
9544
(Macaca mulatta) [
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GSHSLRYFGTAVSRPGRGEPRFIYVGYVDDTQFVRFDSDAASPRTEPRAP
WVEQEGPEYWEEETRRAKARAQTDRADLRTLRGYYNQSEAGSHTLQWMAG
CDLGPNGRLLRGYHQSAYDGKDYIALNEDLRSWIAADMAAQNTQRKWEAT
RYAERFRAYLEGPCLEWLRRYLENGKETLQHADPPKTHVTHHPVSDHEAT
LRCWALGFYPAEITLTWQRDGEEQTQDIEFVETRPAGDGTFQKWGAVVVP
SGEEQRYTCHVQHKGLPEPLTLRWEP
Ligand information
Ligand ID
MYR
InChI
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
InChIKey
TUNFSRHWOTWDNC-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
CCCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.7.6
CCCCCCCCCCCCCC(=O)O
ACDLabs 12.01
O=C(O)CCCCCCCCCCCCC
Formula
C14 H28 O2
Name
MYRISTIC ACID
ChEMBL
CHEMBL111077
DrugBank
DB08231
ZINC
ZINC000001530417
PDB chain
7byd Chain H Residue 101 [
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Receptor-Ligand Complex Structure
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PDB
7byd
Crystal structure of the ternary complex of TCR, MHC class I and lipopeptides.
Resolution
2.80003 Å
Binding residue
(original residue number in PDB)
W97 Y152
Binding residue
(residue number reindexed from 1)
W97 Y152
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:7byd
,
PDBe:7byd
,
PDBj:7byd
PDBsum
7byd
PubMed
32720986
UniProt
B2ZHY7
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