Structure of PDB 8glh Chain A Binding Site BS01

Receptor Information
>8glh Chain A (length=280) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FQGPTSFHVIQTSSFTNSTWAQTQGSGWLDDLQIHGWDSDSGTAIFLKPW
SKGNFSDKEVAELEEIFRVYIFGFAREVQDFAGDFQMKYPFEIQGIAGCE
LHSGGAIVSFLRGALGGLDFLSVKNASCVPSPEGGSRAQKFCALIIQYQG
IMETVRILLYETCPRYLLGVLNAGKADLQRQVKPEAWLSSGPSPGPGRLQ
LVCHVSGFYPKPVWVMWMRGEQEQQGTQLGDILPNANWTWYLRATLDVAD
GEAAGLSCRVKHSSLEGQDIILYWRGSGLN
Ligand information
Ligand ID3IV
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5+
InChIKeyJGMYDQCXGIMHLL-AATRIKPKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCC/C=C/CCCCCCCCCC(=O)O
CACTVS 3.385CCCC/C=C/CCCCCCCCCC(O)=O
CACTVS 3.385CCCCC=CCCCCCCCCCC(O)=O
ACDLabs 12.01O=C(O)CCCCCCCCC\C=C\CCCC
OpenEye OEToolkits 2.0.7CCCCC=CCCCCCCCCCC(=O)O
FormulaC16 H30 O2
Name(11E)-hexadec-11-enoic acid
ChEMBL
DrugBank
ZINC
PDB chain8glh Chain A Residue 702 [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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PDB8glh CD1 lipidomes reveal lipid-binding motifs and size-based antigen-display mechanisms
Resolution1.83 Å
Binding residue
(original residue number in PDB)		F84 F88 M90 I96 G98 L114 F123 L124 F144
Binding residue
(residue number reindexed from 1)		F81 F85 M87 I93 G95 L111 F120 L121 F141
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8glh, PDBe:8glh, PDBj:8glh
PDBsum8glh
PubMed37725977
UniProtP29016|CD1B_HUMAN T-cell surface glycoprotein CD1b (Gene Name=CD1B)

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