Structure of PDB 6g5n Chain A Binding Site BS03

Receptor Information

>6g5n Chain A (length=177) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NSNICEVCNKWGRLFCCDTCPRSFHEHCHIPSVEANKNPWSCIFCRIKTI
QERCPESQSGHQESEVLMRQMLPEEQLKCEFLLLKVYCDSKSCFFASEPY
YNREGSQGPQKPMWLNKVKTSLNEQMYTRVEGFVQDMRLIFHNHKEFYRE
DKFTRLGIQVQDIFEKNFRNIFAIQET

Ligand information

Ligand ID

ENK

InChI

InChI=1S/C9H9N3O/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7/h1-5H,6,10H2

InChIKey

QFBMJBDECSEYCZ-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)c2nc(on2)CN
CACTVS 3.385	NCc1onc(n1)c2ccccc2

Formula

C9 H9 N3 O

Name

(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine

PDB chain

6g5n Chain A Residue 906 [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	6g5n Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Resolution	1.765 Å
Binding residue (original residue number in PDB)	Q751 S757 Q758 N870
Binding residue (residue number reindexed from 1)	Q51 S57 Q58 N170
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:6g5n, PDBe:6g5n, PDBj:6g5n
PDBsum	6g5n
PubMed
UniProt	P23497\|SP100_HUMAN Nuclear autoantigen Sp-100 (Gene Name=SP100)

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