Structure of PDB 6g5p Chain A Binding Site BS03

Receptor Information
>6g5p 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 IDEN8
InChIInChI=1S/C12H17NO4/c1-11(14-3)12(2,15-4)17-10-7-8(13)5-6-9(10)16-11/h5-7H,13H2,1-4H3/t11-,12-/m1/s1
InChIKeyNUAVTOFNYXFNFD-VXGBXAGGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CO[C]1(C)Oc2ccc(N)cc2O[C]1(C)OC
OpenEye OEToolkits 2.0.6C[C@@]1([C@](Oc2cc(ccc2O1)N)(C)OC)OC
OpenEye OEToolkits 2.0.6CC1(C(Oc2cc(ccc2O1)N)(C)OC)OC
CACTVS 3.385CO[C@]1(C)Oc2ccc(N)cc2O[C@@]1(C)OC
FormulaC12 H17 N O4
Name(2~{R},3~{R})-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-amine
ChEMBL
DrugBank
ZINC
PDB chain6g5p Chain A Residue 907 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6g5p Identifying small molecule binding sites for epigenetic proteins at domain-domain interfaces
Resolution1.35 Å
Binding residue
(original residue number in PDB)		N867 N870
Binding residue
(residue number reindexed from 1)		N167 N170
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6g5p, PDBe:6g5p, PDBj:6g5p
PDBsum6g5p
PubMed
UniProtP23497|SP100_HUMAN Nuclear autoantigen Sp-100 (Gene Name=SP100)

[Back to BioLiP]