Structure of PDB 6vzt Chain B Binding Site BS01

Receptor Information
>6vzt Chain B (length=395) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKRLVINLSNCRYDSVRRAAQQYGLREANDDWTLYWTDYSVSLERVMEMK
SYQKINHFPGMSEICRKDLLARNMSRMLKLFPKDFHFFPRTWCLPADWGD
LQTYSRTRKNKTYICKPDSGCQGRGIFITRSVKEIKPGEDMICQLYISKP
FIIDGFKFDLRVYVLVTSCDPLRVFVYNEGLARFATTSYSHPNLDNLDEI
CMHLTNYSINKHSSNFVQDAFSGSKRKLSTFNSYMKTHGYDVEQIWRGIE
DVIIKTLISAHPVIKHNYHTCFPSHTLNSACFEILGFDILLDRKLKPWLL
EVNHSPSFSTDSKLDKEVKDSLLYDALVLINLGNCDKKKVLEEERQRGRF
LIRLEEVKGFQAMRLQKTEEYEKKNCGGFRLIYPGLNLEKYDKFF
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6vzt Chain B Residue 601 [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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PDB6vzt Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Resolution2.18 Å
Binding residue
(original residue number in PDB)		I172 K174 C179 Q180 G181 I184 Q202 Y204 I205 K215 T263 N264 L358 E359
Binding residue
(residue number reindexed from 1)		I114 K116 C121 Q122 G123 I126 Q144 Y146 I147 K157 T205 N206 L300 E301
Annotation score5
Enzymatic activity
Enzyme Commision number 6.3.2.-
Gene Ontology
Biological Process
GO:0036211 protein modification process

View graph for
Biological Process
External links
PDB RCSB:6vzt, PDBe:6vzt, PDBj:6vzt
PDBsum6vzt
PubMed32747782
UniProtA4Q9E8|TTLL6_MOUSE Tubulin polyglutamylase TTLL6 (Gene Name=Ttll6)

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