Structure of PDB 8r2o Chain A Binding Site BS02

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 2 [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)	W62 D65 R66 E153 P154 Y155 M330 W340
Binding residue (residue number reindexed from 1)	W61 D64 R65 E152 P153 Y154 M329 W339
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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