Structure of PDB 7ft9 Chain C Binding Site BS01

Receptor Information
>7ft9 Chain C (length=193) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEIKQGIREVILCKDQDGKIGLRLKSIDNGIFVQLVQANSPASLVGLRFG
DQVLQINGENCAGWSSDKAHKVLKQAFGEKITMTIRDRPFERTITMHKDS
TGHVGFIFKNGKITSIVKDSSAARNGLLTEHNICEINGQNVIGLKDSQIA
DILSTSGTVVTITIMPAFIFEHIIKRMAPSIMKSLMDHTIPEV
Ligand information
Ligand ID4MB
InChIInChI=1S/C8H9NO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChIKeySROHFTOYGFCJAF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CS(=O)(=O)Nc1ccc(cc1)C(=O)O
CACTVS 3.341C[S](=O)(=O)Nc1ccc(cc1)C(O)=O
ACDLabs 10.04O=S(=O)(Nc1ccc(cc1)C(=O)O)C
FormulaC8 H9 N O4 S
Name4-[(METHYLSULFONYL)AMINO]BENZOIC ACID
ChEMBLCHEMBL339996
DrugBankDB07114
ZINCZINC000000340465
PDB chain7ft9 Chain C 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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PDB7ft9 SDCBP PanDDA analysis group deposition
Resolution1.77 Å
Binding residue
(original residue number in PDB)		K203 G207 F211 F213 A255 L258 S259
Binding residue
(residue number reindexed from 1)		K98 G102 F106 F108 A150 L153 S154
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7ft9, PDBe:7ft9, PDBj:7ft9
PDBsum7ft9
PubMed
UniProtO00560|SDCB1_HUMAN Syntenin-1 (Gene Name=SDCBP)

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