Structure of PDB 7lz7 Chain D Binding Site BS02

Receptor Information
>7lz7 Chain D (length=421) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVY
YNEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNN
WAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTL
LISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETY
CIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADL
RKLAVNMVPFPRLHFFMPGFAPLLTVPELTQQMFDSKNMMAACDPRHGRY
LTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRG
LKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTE
AESNMNDLVSEYQQYQDATAD
Ligand information
Ligand IDYJ7
InChIInChI=1S/C16H15N5O3/c1-8-14-15(17-9(2)18-16(14)24-20-8)21-7-13(22)19-11-6-10(23-3)4-5-12(11)21/h4-6H,7H2,1-3H3,(H,19,22)
InChIKeyANFWBEUANIPNGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01COc1cc2NC(=O)CN(c3nc(C)nc4onc(C)c34)c2cc1
OpenEye OEToolkits 2.0.7Cc1c2c(nc(nc2on1)C)N3CC(=O)Nc4c3ccc(c4)OC
CACTVS 3.385COc1ccc2N(CC(=O)Nc2c1)c3nc(C)nc4onc(C)c34
FormulaC16 H15 N5 O3
Name4-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
ChEMBL
DrugBank
ZINC
PDB chain7lz7 Chain D Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7lz7 X-ray Crystallography-Guided Design, Antitumor Efficacy, and QSAR Analysis of Metabolically Stable Cyclopenta-Pyrimidinyl Dihydroquinoxalinone as a Potent Tubulin Polymerization Inhibitor.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C239 L246 A248 L253 N256 M257 A314 K350
Binding residue
(residue number reindexed from 1)		C239 L246 A248 L253 N256 M257 A304 K340
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005200 structural constituent of cytoskeleton
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0046872 metal ion binding
Biological Process
GO:0000226 microtubule cytoskeleton organization
GO:0000278 mitotic cell cycle
GO:0007017 microtubule-based process
Cellular Component
GO:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005874 microtubule

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7lz7, PDBe:7lz7, PDBj:7lz7
PDBsum7lz7
PubMed34406768
UniProtP02554|TBB_PIG Tubulin beta chain

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