Structure of PDB 7gaf Chain A Binding Site BS01

Receptor Information
>7gaf Chain A (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTFKQRRTFEQRVEDVRLIREQHPTKIPVIIERYKGEKQLPVLDKTKFLV
PDHVNMSELIKIIRRRLQLNANQAFFLLVNGHSMVSVSTPISEVYESEKD
EDGFLYMVYASQETF
Ligand information
Ligand IDK96
InChIInChI=1S/C10H18N2O3/c13-10(12-3-6-14-7-4-12)11-8-9-2-1-5-15-9/h9H,1-8H2,(H,11,13)
InChIKeyATXCVEYWESPIDM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C(NC[C@@H]1CCCO1)N2CCOCC2
OpenEye OEToolkits 2.0.7C1C[C@H](OC1)CNC(=O)N2CCOCC2
OpenEye OEToolkits 2.0.7C1CC(OC1)CNC(=O)N2CCOCC2
CACTVS 3.385O=C(NC[CH]1CCCO1)N2CCOCC2
ACDLabs 12.01O=C(NCC1CCCO1)N1CCOCC1
FormulaC10 H18 N2 O3
NameN-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7gaf Chain A Residue 201 [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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PDB7gaf PanDDA analysis group deposition
Resolution1.84 Å
Binding residue
(original residue number in PDB)		K49 F52 L53
Binding residue
(residue number reindexed from 1)		K45 F48 L49
Annotation score1
External links
PDB RCSB:7gaf, PDBe:7gaf, PDBj:7gaf
PDBsum7gaf
PubMed
UniProtQ9GZQ8|MLP3B_HUMAN Microtubule-associated proteins 1A/1B light chain 3B (Gene Name=MAP1LC3B)

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