Structure of PDB 7ft6 Chain D Binding Site BS01

Receptor Information
>7ft6 Chain D (length=191) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKQGIREVILCKDQDGKIGLRLKSIDNGIFVQLVQANSPASLVGLRFGDQ
VLQINGENCAGWSSDKAHKVLKQAFGEKITMTIRDRPFERTITMHKDSTG
HVGFIFKNGKITSIVKDSSAARNGLLTEHNICEINGQNVIGLKDSQIADI
LSTSGTVVTITIMPAFIFEHIIKRMAPSIMKSLMDHTIPEV
Ligand information
Ligand IDYEK
InChIInChI=1S/C8H15NO4S/c1-8(7(10)13-2)5-4-6-9(8)14(3,11)12/h4-6H2,1-3H3/t8-/m1/s1
InChIKeyAPDJGJFQSBOQHM-MRVPVSSYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COC(=O)[C@@]1(C)CCCN1[S](C)(=O)=O
OpenEye OEToolkits 2.0.7CC1(CCCN1S(=O)(=O)C)C(=O)OC
OpenEye OEToolkits 2.0.7C[C@@]1(CCCN1S(=O)(=O)C)C(=O)OC
CACTVS 3.385COC(=O)[C]1(C)CCCN1[S](C)(=O)=O
ACDLabs 12.01O=S(C)(=O)N1CCCC1(C)C(=O)OC
FormulaC8 H15 N O4 S
Namemethyl 1-(methanesulfonyl)-2-methyl-D-prolinate
ChEMBL
DrugBank
ZINC
PDB chain7ft6 Chain D 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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PDB7ft6 SDCBP PanDDA analysis group deposition
Resolution1.85 Å
Binding residue
(original residue number in PDB)		S148 L149 G151 T294
Binding residue
(residue number reindexed from 1)		S41 L42 G44 T187
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7ft6, PDBe:7ft6, PDBj:7ft6
PDBsum7ft6
PubMed
UniProtO00560|SDCB1_HUMAN Syntenin-1 (Gene Name=SDCBP)

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