Structure of PDB 7fsw Chain A Binding Site BS01

Receptor Information

>7fsw Chain A (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 ID

YDX

InChI

InChI=1S/C9H11N5O/c1-13-6-3-8(12-13)11-9(15)7-14-5-2-4-10-14/h2-6H,7H2,1H3,(H,11,12,15)

InChIKey

DEBBFOBAIIGVSG-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385	Cn1ccc(NC(=O)Cn2cccn2)n1
OpenEye OEToolkits 2.0.7	Cn1ccc(n1)NC(=O)Cn2cccn2
ACDLabs 12.01	O=C(Nc1ccn(C)n1)Cn1cccn1

Formula

C9 H11 N5 O

Name

N-(1-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-1-yl)acetamide

PDB chain

7fsw Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7fsw SDCBP PanDDA analysis group deposition
Resolution	2.14 Å
Binding residue (original residue number in PDB)	N215 G216 I247 G248 I279 M282
Binding residue (residue number reindexed from 1)	N108 G109 I140 G141 I172 M175
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7fsw, PDBe:7fsw, PDBj:7fsw
PDBsum	7fsw
PubMed
UniProt	O00560\|SDCB1_HUMAN Syntenin-1 (Gene Name=SDCBP)

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