Structure of PDB 5oeu Chain A Binding Site BS01

Receptor Information
>5oeu Chain A (length=460) Species: 36090 (Globodera pallida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDYVEKSVNSETKLHKLADFAIDWAHNNGLILRTKQFLNKSDVAEFAPVS
LLPSPFPRHAFEKAVAVHEALQLLYFRVACDYEFMMDAYKDVVNTDNHLR
QLVNIIKDAHKQGIKQPTTLLIMRADYMLNTLDEYELKQVEVNTGAIGGL
GIDRRTTELHRQMLRKVGMDTSNSPANNGDSNMIESLFMAWEAFGNKNAL
FVFLSHERLQYKFELRNIQCQLEELSNGQMKVEYVSLKAGYEQLKLGEDY
SLLLNGEIVGVVYSTISALGHQANAREMEARRTIELSNAIKAPSLAIAIS
SSKKIQQLLTTPGTLERFFPSATEADKVAAIRETFTGLWGLEKSDDQTER
RIKDAIENPANYVLKSNNFYDEALAEKLRTMPQAERASHILMQKLIPMAT
KNYFLRPFHEPKLNVVVGELGVNGTLLGNLRDQSVRHNVQSGHLLRTKLR
EGVGDSPYLF
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain5oeu Chain A Residue 601 [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]
PDB5oeu Effector gene birth in plant parasitic nematodes: Neofunctionalization of a housekeeping glutathione synthetase gene.
Resolution2.57 Å
Binding residue
(original residue number in PDB)		M156 E175 K399 Y410 M432 K434 L435 E459
Binding residue
(residue number reindexed from 1)		M128 E141 K365 Y370 M392 K394 L395 E419
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004363 glutathione synthase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
Biological Process
GO:0006750 glutathione biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5oeu, PDBe:5oeu, PDBj:5oeu
PDBsum5oeu
PubMed29641602
UniProtA0A183CD52

[Back to BioLiP]