Structure of PDB 6j4q Chain F Binding Site BS01

Receptor Information
>6j4q Chain F (length=246) 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
GLYVPHEPHSFQPIEWKQLVLNVSKMLRADIRKELEKYARDMRMKI
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 B Residue 101 [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)		P138 G141 E144
Binding residue
(residue number reindexed from 1)		P90 G93 E96
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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