Structure of PDB 8r2o Chain A Binding Site BS01

Receptor Information

>8r2o Chain A (length=408) Species: 9606,1327989 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

IEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVA
ATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNG
KLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNL
QEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKN
KHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFK
GQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGA
VALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAA
SGRQTVDAALAAAQTNAAAGSENLYFQGMATLEKLMKAFESLKSFQQQQQ
QQQQQQQQ

Ligand information

Ligand ID

GLC

InChI

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1

InChIKey

WQZGKKKJIJFFOK-DVKNGEFBSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341	OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04	OC1C(O)C(OC(O)C1O)CO

Formula

C6 H12 O6

Name

alpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose

PDB chain

8r2o Chain C Residue 1 [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	8r2o Post-translational modifications in the first 17 amino acids of huntingtin influence self-association and interaction with membranes
Resolution	3.23 Å
Binding residue (original residue number in PDB)	D14 K15 E111 Y155
Binding residue (residue number reindexed from 1)	D13 K14 E110 Y154
Annotation score	4

External links

PDB	RCSB:8r2o, PDBe:8r2o, PDBj:8r2o
PDBsum	8r2o
PubMed
UniProt	A0A4P1LXE0; P42858\|HD_HUMAN Huntingtin (Gene Name=HTT)

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