Structure of PDB 4dw1 Chain A Binding Site BS01

Receptor Information
>4dw1 Chain A (length=324) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RFTQALVIAYVIGYVCVYNKGYQDTDTVLSSVTTKVKGIALTKTSELGER
IWDVADYIIPPQEDGSFFVLTNMIITTNQTQSKCAENPTPASTCTSHRDC
KRGFNDARGDGVRTGRCVSYSASVKTCEVLSWCPLEKIVDPPNPPLLADA
ERFTVLIKNNIRYPKFNFNKRNILPNINSSYLTHCVFSRKTDPDCPIFRL
GDIVGEAEEDFQIMAVRGGVMGVQIRWDCDLDMPQSWCVPRYTFRRLDNK
DPDNNVAPGYNFRFAKYYKNSDGTETRTLIKGYGIRFDVMVFGQAGKFNI
IPTLLNIGAGLALLGLVNVICDWI
Ligand information
Ligand IDMAN
InChIInChI=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
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain4dw1 Chain B Residue 5 [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]
PDB4dw1 Molecular mechanism of ATP binding and ion channel activation in P2X receptors.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H219 D227
Binding residue
(residue number reindexed from 1)		H184 D192
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001614 purinergic nucleotide receptor activity
GO:0004931 extracellularly ATP-gated monoatomic cation channel activity
GO:0005216 monoatomic ion channel activity
GO:0005524 ATP binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0033198 response to ATP
GO:0098655 monoatomic cation transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4dw1, PDBe:4dw1, PDBj:4dw1
PDBsum4dw1
PubMed22535247
UniProtF8W463|P2X4A_DANRE P2X purinoceptor 4a (Gene Name=p2rx4a)

[Back to BioLiP]