Structure of PDB 7ft0 Chain C Binding Site BS01

Receptor Information

>7ft0 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 ID

RWP

InChI

InChI=1S/C10H8F3NO3/c1-17-8(15)6-2-4-7(5-3-6)14-9(16)10(11,12)13/h2-5H,1H3,(H,14,16)

InChIKey

MDDVOSSRTNAXHJ-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.6	COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F
ACDLabs 12.01	c1cc(ccc1NC(=O)C(F)(F)F)C(=O)OC
CACTVS 3.385	COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1

Formula

C10 H8 F3 N O3

Name

methyl 4-[(trifluoroacetyl)amino]benzoate

PDB chain

7ft0 Chain C 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	7ft0 SDCBP PanDDA analysis group deposition
Resolution	2.45 Å
Binding residue (original residue number in PDB)	G207 H208 V209 I212 F213 A255 L258 S259
Binding residue (residue number reindexed from 1)	G102 H103 V104 I107 F108 A150 L153 S154
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:7ft0, PDBe:7ft0, PDBj:7ft0
PDBsum	7ft0
PubMed
UniProt	O00560\|SDCB1_HUMAN Syntenin-1 (Gene Name=SDCBP)

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