Structure of PDB 7fta Chain D Binding Site BS01

Receptor Information
>7fta 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 IDYER
InChIInChI=1S/C11H9N3O2/c15-10(16)8-3-1-4-9(7-8)14-11-12-5-2-6-13-11/h1-7H,(H,15,16)(H,12,13,14)
InChIKeyJCCQTGJTDPBYJP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccc(Nc2ncccn2)c1
ACDLabs 12.01O=C(O)c1cc(ccc1)Nc1ncccn1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Nc2ncccn2)C(=O)O
FormulaC11 H9 N3 O2
Name3-[(pyrimidin-2-yl)amino]benzoic acid
ChEMBL
DrugBank
ZINCZINC000013536172
PDB chain7fta 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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PDB7fta SDCBP PanDDA analysis group deposition
Resolution2.03 Å
Binding residue
(original residue number in PDB)		H208 V209 G210 F211 F213
Binding residue
(residue number reindexed from 1)		H101 V102 G103 F104 F106
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fta, PDBe:7fta, PDBj:7fta
PDBsum7fta
PubMed
UniProtO00560|SDCB1_HUMAN Syntenin-1 (Gene Name=SDCBP)

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