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Structure of PDB 6gj4 Chain B Binding Site BS02

Receptor Information >6gj4 Chain B (length=428) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVY YNEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNN WAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTL LISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETY CIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADL RKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDSKNMM AACDPRHGRYLTVAAIFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVK TAVCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTG EGMDEMEFTEAESNMNDLVSEYQQYQDA

Ligand information Ligand ID EZW InChI InChI=1S/C27H18N2O3/c1-17(30)31-27-23-12-6-14-29(23)24-15-18-7-2-3-8-19(18)16-25(24)32-26(27)21-9-4-11-22-20(21)10-5-13-28-22/h2-16H,1H3 InChIKey HVSMPYIXZQQOJE-UHFFFAOYSA-N SMILES Software SMILES CACTVS 3.385 CC(=O)OC1=C(Oc2cc3ccccc3cc2n4cccc14)c5cccc6ncccc56 OpenEye OEToolkits 2.0.6 CC(=O)OC1=C(Oc2cc3ccccc3cc2-n4c1ccc4)c5cccc6c5cccn6 Formula C27 H18 N2 O3 Name 5-(quinolin-5-yl)naphtho[2,3-b]pyrrolo[1,2-d][1,4]oxazepin-4-yl acetate ChEMBL CHEMBL4444777 DrugBank ZINC PDB chain 6gj4 Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 6gj4 Structure-activity relationships, biological evaluation and structural studies of novel pyrrolonaphthoxazepines as antitumor agents. Resolution 2.4 Å Binding residue (original residue number in PDB) V238 A250 L255 N258 K352 Binding residue (residue number reindexed from 1) V236 A248 L253 N256 K350 Annotation score 1 Binding affinity MOAD: Ka=70000000M^-1

Enzymatic activity Enzyme Commision number ?

Gene Ontology Molecular Function GO:0003924 GTPase activity GO:0005200 structural constituent of cytoskeleton GO:0005525 GTP binding GO:0046872 metal ion binding GO:0046982 protein heterodimerization activity

	Biological Process
GO:0000226	microtubule cytoskeleton organization
GO:0000278	mitotic cell cycle
GO:0007017	microtubule-based process
GO:0007399	nervous system development
GO:1902669	positive regulation of axon guidance

	Cellular Component
GO:0005737	cytoplasm
GO:0005856	cytoskeleton
GO:0005874	microtubule
GO:0015630	microtubule cytoskeleton

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