Structure of PDB 6wqz Chain C Binding Site BS01

Receptor Information
>6wqz Chain C (length=536) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PWHHIENLDLFFSRVYNLHQKNGFTCMLIGEIFELMQFLFVVAFTTFLVS
CVDYDILFANKVTLPDAFLPAQVCSARIQENGSLITILVIAGVFWIHRLI
KFIYNICCYWEIHSFYLHALRIPMSALPYCTWQEVQARIVQTQKEHQICI
HKRELTELDIYHRILRFQNYMVALVNKSLLPLRFRLPGLGEAVFFTRGLK
YNFELILFWGPGSLFLNEWSLKAEYKRGGQRLELAQRLSNRILWIGIANF
LLCPLILIWQILYAFFSYAEVLKREPGALGARCWSLYGRCYLRHFNELEH
ELQSRLNRGYKPASKYMNCFLSPLLTLLAKNGAFFAGSILAVLIALTIYD
EDVLAVEHVLTTVTLLGVTVTVCRSFIPDQHMVFCPEQLLRVILAHIHYM
PDHWQGNAHRSQTRDEFAQLFQYKAVFILEELLSPIVTPLILIFCLRPRA
LEIIDFFRNFTVEVVGVGDTCSFAQMDVRQHGHPQWLQTEASVYQQAEDG
KTELSLMHFAITNPGWQPPRESTAFLGFLKEQVQRD
Ligand information
Ligand IDLMN
InChIInChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40+,41-,42-,43-,44-,45-,46-/m0/s1
InChIKeyMADJBYLAYPCCOO-XYPZXBMFSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O(CC(CCCCCCCCCC)(CCCCCCCCCC)COC2OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO
CACTVS 3.385CCCCCCCCCCC(CCCCCCCCCC)(CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O)CO[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O
CACTVS 3.385CCCCCCCCCCC(CCCCCCCCCC)(CO[C@H]1O[C@@H](CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O)CO[C@H]3O[C@@H](CO)[C@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.9.2CCCCCCCCCCC(CCCCCCCCCC)(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)COC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O
OpenEye OEToolkits 1.9.2CCCCCCCCCCC(CCCCCCCCCC)(CO[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)O)O)CO[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O
FormulaC47 H88 O22
NameLauryl Maltose Neopentyl Glycol;
2,2-didecylpropane-1,3-bis-b-D-maltopyranoside
ChEMBL
DrugBank
ZINC
PDB chain6wqz Chain C Residue 801 [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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PDB6wqz Structure of Human ATG9A, the Only Transmembrane Protein of the Core Autophagy Machinery.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R245 Y249 A296 L300 W307 Y311
Binding residue
(residue number reindexed from 1)		R197 Y201 A248 L252 W259 Y263
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Biological Process
External links
PDB RCSB:6wqz, PDBe:6wqz, PDBj:6wqz
PDBsum6wqz
PubMed32610138
UniProtQ7Z3C6|ATG9A_HUMAN Autophagy-related protein 9A (Gene Name=ATG9A)

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