Structure of PDB 6j4q Chain J Binding Site BS02

Receptor Information
>6j4q Chain J (length=247) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FHVNKSGFPIDSHTWERMWMHVAKVHPKGGEMVGAIRNAAFLAKPSIPQV
PNYRLSMTIPDWLQAIQNYMKTLQYNHTGTQFFEIRKMRPLSGLMETAKE
MTRESLPIKCLEAVILGIYLTNGQPSIERFPISFKTYFSGNYFHHVVLGI
YCNGRYGSLGMSRRAELMDKPLTFRTLSDLIFDFEDSYKKYLHTVKKVKI
GLYVPHEPHSFQPIEWKQLVLNVSKMLRADIRKELEKYARDMRMKIL
Ligand information
Ligand IDTQ8
InChIInChI=1S/C17H18ClNO3S/c1-13-7-9-15(10-8-13)23(21,22)19-16(17(20)12-18)11-14-5-3-2-4-6-14/h2-10,16,19H,11-12H2,1H3/t16-/m0/s1
InChIKeyMQUQNUAYKLCRME-INIZCTEOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1Cc1ccc(cc1)S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl
OpenEye OEToolkits 1.6.1Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)CCl
CACTVS 3.352Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CCl
CACTVS 3.352Cc1ccc(cc1)[S](=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl
FormulaC17 H18 Cl N O3 S
NameN-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide;
CAS329306
ChEMBLCHEMBL60718
DrugBank
ZINCZINC000000901254
PDB chain6j4q Chain J Residue 301 [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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PDB6j4q Structural basis of tubulin detyrosination by the vasohibin-SVBP enzyme complex.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y123 C158 F191 H192 H193 S210 R211 H241
Binding residue
(residue number reindexed from 1)		Y75 C110 F143 H144 H145 S162 R163 H193
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.17.17: tubulinyl-Tyr carboxypeptidase.
Gene Ontology
Biological Process
GO:0045765 regulation of angiogenesis
Cellular Component
GO:0005737 cytoplasm

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6j4q, PDBe:6j4q, PDBj:6j4q
PDBsum6j4q
PubMed31235911
UniProtQ86V25|VASH2_HUMAN Tubulinyl-Tyr carboxypeptidase 2 (Gene Name=VASH2)

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