Structure of PDB 7kd5 Chain A Binding Site BS03

Receptor Information
>7kd5 Chain A (length=428) Species: 152219,1327989 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVA
ATGDGPDIIFWAHDRFGGYAQSGLLAEITPAAAFQDKLYPFTWDAVRYNG
KLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNL
QEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKN
KHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFK
GQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGA
VALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAA
SGRQTVDAALAAAQTNAAAKSSAASPAALSGYKMTLLALIKESIPNQAKR
QKFEMQVGGIRNEQDFKNLRREIIRSAA
Ligand information
Ligand IDPIN
InChIInChI=1S/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16)
InChIKeyIHPYMWDTONKSCO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1
OpenEye OEToolkits 1.5.0C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O
CACTVS 3.341O[S](=O)(=O)CCN1CCN(CC1)CC[S](O)(=O)=O
FormulaC8 H18 N2 O6 S2
NamePIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID);
PIPES;
1,4-PIPERAZINEDIETHANESULFONIC ACID
ChEMBL
DrugBank
ZINCZINC000019364835
PDB chain7kd5 Chain A Residue 1405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7kd5 Structural Analysis of the Menangle Virus P Protein Reveals a Soft Boundary between Ordered and Disordered Regions.
Resolution1.551 Å
Binding residue
(original residue number in PDB)		P271 K273
Binding residue
(residue number reindexed from 1)		P270 K272
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015144 carbohydrate transmembrane transporter activity
Biological Process
GO:0008643 carbohydrate transport
GO:0055085 transmembrane transport

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Molecular Function
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Biological Process
External links
PDB RCSB:7kd5, PDBe:7kd5, PDBj:7kd5
PDBsum7kd5
PubMed34578318
UniProtA0A4P1LXE0;
Q91MK1

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