Structure of PDB 4lr2 Chain A Binding Site BS01

Receptor Information
>4lr2 Chain A (length=379) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPPKLLLVSFDGFRADYLKNYEFPHLQNFIKEGVLVEHVKNVFITKTFPN
HYSIVTGLYEESHGIVANSMYDAVTKKHFSDSNDKDPFWWNEAVPIWVTN
QLQENRSSAAAMWPGTDVPIHDTISSYFMNYNSSVSFEERLNNITMWLNN
SNPPVTFATLYWEEPDASGHKYGPEDKENMSRVLKKIDDLIGDLVQRLKM
LGLWENLNVIITSDHGMTQCSQDRLINLDSCIDHSYYTLIDLSPVAAILP
KINRTEVYNKLKNCSPHMNVYLKEDIPNRFYYQHNDRIQPIILVADEGWT
IVLNESSQKLGDHGYDNSLPSMHPFLAAHGPAFHKGYKHSTINIVDIYPM
MCHILGLKPHPNNGTFGHTKCLLVDQWCI
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4lr2 Chain A Residue 505 [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]
PDB4lr2 Molecular basis of purinergic signal metabolism by ectonucleotide pyrophosphatase/phosphodiesterases 4 and 1 and implications in stroke.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D34 T70 D237 H238
Binding residue
(residue number reindexed from 1)		D11 T47 D214 H215
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.29: bis(5'-adenosyl)-triphosphatase.
External links
PDB RCSB:4lr2, PDBe:4lr2, PDBj:4lr2
PDBsum4lr2
PubMed24338010
UniProtQ9Y6X5|ENPP4_HUMAN Bis(5'-adenosyl)-triphosphatase ENPP4 (Gene Name=ENPP4)

[Back to BioLiP]