Structure of PDB 6vzw Chain B Binding Site BS01

Receptor Information
>6vzw Chain B (length=398) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKRLVINLSNCRYDSVRRAAQQYGLREAGDNDDWTLYWTDYSVSLERVME
MKSYQKINHFPGMSEICRKDLLARNMSRMLKLFPKDFHFFPRTWCLPADW
GDLQTYSRTRKNKTYICKPDSGCQGRGIFITRSVKEIKPGEDMICQLYIS
KPFIIDGFKFDLRVYVLVTSCDPLRVFVYNEGLARFATTSYSHPNLDNLD
EICMHLTNYSINKHSSNFVQDAFSGSKRKLSTFNSYMKTHGYDVEQIWRG
IEDVIIKTLISAHPVIKHNYHTCFPSHTLNSACFEILGFDILLDRKLKPW
LLEVNHSPSFSTDSKLDKEVKDSLLYDALVLINLGNCDKKKVLEEERQRG
RFLQQRLEEVKGFQAMRLQKTEEYEKKNCGGFRLIYPGLNLEKYDKFF
Ligand information
Ligand ID2TI
InChIInChI=1S/C14H26N2O11P2/c1-3-15-13(20)11(16-9(2)17)6-7-28(23,27-29(24,25)26)8-10(14(21)22)4-5-12(18)19/h10-11H,3-8H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)(H,21,22)(H2,24,25,26)/t10-,11-,28+/m1/s1
InChIKeyKGETUINFOFOMSV-USZLWBOQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCNC(=O)C(CCP(=O)(CC(CCC(=O)O)C(=O)O)OP(=O)(O)O)NC(=O)C
CACTVS 3.385CCNC(=O)[CH](CC[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O)NC(C)=O
CACTVS 3.385CCNC(=O)[C@@H](CC[P@@](=O)(C[C@@H](CCC(O)=O)C(O)=O)O[P](O)(O)=O)NC(C)=O
OpenEye OEToolkits 2.0.7CCNC(=O)[C@@H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O)NC(=O)C
FormulaC14 H26 N2 O11 P2
Name(2~{S})-2-[[[(3~{R})-3-acetamido-4-(ethylamino)-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
ChEMBL
DrugBank
ZINC
PDB chain6vzw 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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PDB6vzw Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		C179 Q180 R219 L239 R241 N264 Y265 S266 K283 E359 N361 H362 S363 S365 K377
Binding residue
(residue number reindexed from 1)		C123 Q124 R163 L183 R185 N208 Y209 S210 K227 E303 N305 H306 S307 S309 K321
Annotation score1
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:6vzw, PDBe:6vzw, PDBj:6vzw
PDBsum6vzw
PubMed32747782
UniProtA4Q9E8|TTLL6_MOUSE Tubulin polyglutamylase TTLL6 (Gene Name=Ttll6)

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