Structure of PDB 7gar Chain A Binding Site BS01

Receptor Information
>7gar 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 ID2NU
InChIInChI=1S/C9H12BrN3O/c1-12(8-2-3-8)9(14)6-13-5-7(10)4-11-13/h4-5,8H,2-3,6H2,1H3
InChIKeyWFHPYRQFVJBTSS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(C1CC1)C(=O)Cn2cc(Br)cn2
OpenEye OEToolkits 2.0.7CN(C1CC1)C(=O)Cn2cc(cn2)Br
FormulaC9 H12 Br N3 O
Name2-(4-bromanylpyrazol-1-yl)-~{N}-cyclopropyl-~{N}-methyl-ethanamide
ChEMBL
DrugBank
ZINCZINC000049306719
PDB chain7gar 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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PDB7gar PanDDA analysis group deposition
Resolution2.07 Å
Binding residue
(original residue number in PDB)		K49 F52 L53 I66
Binding residue
(residue number reindexed from 1)		K45 F48 L49 I62
Annotation score1
External links
PDB RCSB:7gar, PDBe:7gar, PDBj:7gar
PDBsum7gar
PubMed
UniProtQ9GZQ8|MLP3B_HUMAN Microtubule-associated proteins 1A/1B light chain 3B (Gene Name=MAP1LC3B)

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