Structure of PDB 6vzv Chain B Binding Site BS01

Receptor Information
>6vzv Chain B (length=404) 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
RFLQQCPNREIRLEEVKGFQAMRLQKTEEYEKKNCGGFRLIYPGLNLEKY
DKFF
Ligand information
Ligand IDS3A
InChIInChI=1S/C12H21NO12P2/c1-7(14)13-9(12(19)20)4-5-26(21,25-27(22,23)24)6-8(11(17)18)2-3-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H2,22,23,24)/t8-,9-,26+/m1/s1
InChIKeyGAWJDXYZTLOFMC-UXDGFGRTSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)N[CH](CC[P](=O)(C[CH](CCC(O)=O)C(O)=O)O[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(=O)NC(CCP(=O)(CC(CCC(=O)O)C(=O)O)OP(=O)(O)O)C(=O)O
CACTVS 3.385CC(=O)N[C@H](CC[P@@](=O)(C[C@@H](CCC(O)=O)C(O)=O)O[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(=O)N[C@H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)(O)O)C(=O)O
FormulaC12 H21 N O12 P2
Name(2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
ChEMBL
DrugBank
ZINC
PDB chain6vzv 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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PDB6vzv Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Resolution2.33 Å
Binding residue
(original residue number in PDB)		C179 Q180 R219 L239 R241 N264 Y265 S266 K283 E359 N361 S363 P364 S365 K377
Binding residue
(residue number reindexed from 1)		C123 Q124 R163 L183 R185 N208 Y209 S210 K227 E303 N305 S307 P308 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:6vzv, PDBe:6vzv, PDBj:6vzv
PDBsum6vzv
PubMed32747782
UniProtA4Q9E8|TTLL6_MOUSE Tubulin polyglutamylase TTLL6 (Gene Name=Ttll6)

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