Structure of PDB 1z2b Chain C Binding Site BS04

Receptor Information
>1z2b Chain C (length=427) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIDSFNTFFSE
TGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAANNYAR
GHYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFTSLLME
RLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVD
NEAIYDICRRNLDIERPTYTNLNRLIGQIVSSITASLRFDGALNVDLTEF
QTNLVPYPRIHFPLATYAPVISAEQLSVAEITNACFEPANQMVKCDPRHG
KYMACCLLYRGDVVPKDVNAAIATIKTKRSIQFVDWCPTGFKVGINYQPP
TVVPGGDLAKVQRAVCMLSNTTAIAEAWARLDHKFDLMYAKRAFVHWYVG
EGMEEGEFSEAREDMAALEKDYEEVGI
Ligand information
Ligand IDCN2
InChIInChI=1S/C22H25NO6S/c1-26-17-8-6-13-14(10-16(17)24)15(23-19(25)11-30)7-5-12-9-18(27-2)21(28-3)22(29-4)20(12)13/h6,8-10,15,30H,5,7,11H2,1-4H3,(H,23,25)/t15-/m0/s1
InChIKeyTYDIWMTWTXFWSY-HNNXBMFYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341COC1=CC=C2C(=CC1=O)[CH](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)CS
ACDLabs 10.04O=C(NC3C1=CC(=O)C(OC)=CC=C1c2c(cc(OC)c(OC)c2OC)CC3)CS
OpenEye OEToolkits 1.5.0COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3C(CC2)NC(=O)CS)OC
OpenEye OEToolkits 1.5.0COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3[C@H](CC2)NC(=O)CS)OC
CACTVS 3.341COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)CS
FormulaC22 H25 N O6 S
Name2-MERCAPTO-N-[1,2,3,10-TETRAMETHOXY-9-OXO-5,6,7,9-TETRAHYDRO-BENZO[A]HEPTALEN-7-YL]ACETAMIDE
ChEMBL
DrugBankDB07574
ZINCZINC000029124025
PDB chain1z2b Chain D Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1z2b Structural basis for the regulation of tubulin by vinblastine.
Resolution4.1 Å
Binding residue
(original residue number in PDB)		S178 V181
Binding residue
(residue number reindexed from 1)		S173 V176
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0005200 structural constituent of cytoskeleton
GO:0005525 GTP binding
GO:0016787 hydrolase activity
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
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Biological Process
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Cellular Component
External links
PDB RCSB:1z2b, PDBe:1z2b, PDBj:1z2b
PDBsum1z2b
PubMed15917812
UniProtQ2HJ86|TBA1D_BOVIN Tubulin alpha-1D chain (Gene Name=TUBA1D)

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