Structure of PDB 2hyd Chain B Binding Site BS02

Receptor Information
>2hyd Chain B (length=578) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIKRYLQFVKPYKYRIFATIIVGIIKFGIPMLIPLLIKYAIDGVINNHAL
TTDEKVHHLTIAIGIALFIFVIVRPPIEFIRQYLAQWTSNKILYDIRKKL
YNHLQALSARFYANNQVGQVISRVINDVEQTKDFILTGLMNIWLDCITII
IALSIMFFLDVKLTLAALFIFPFYILTVYVFFGRLRKLTRERSQALAEVQ
GFLHERVQGISVVKSFAIEDNEAKNFDKKNTNFLTRALKHTRWNAYSFAA
INTVTDIGPIIVIGVGAYLAISGSITVGTLAAFVGYLELLFGPLRRLVAS
FTTLTQSFASMDRVFQLIDEDYDIKNGVGAQPIEIKQGRIDIDHVSFQYN
DNEAPILKDINLSIEKGETVAFVGMSGGGKSTLINLIPRFYDVTSGQILI
DGHNIKDFLTGSLRNQIGLVQQDNILFSDTVKENILLGRPTATDEEVVEA
AKMANAHDFIMNLPQGYDTEVGERGVKLSGGQKQRLSIARIFLNNPPILI
LDEATSALDLESESIIQEALDVLSKDRTTLIVAHRLSTITHADKIVVIEN
GHIVETGTHRELIAKQGAYEHLYSIQNL
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 chain2hyd Chain B Residue 701 [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]
PDB2hyd Structure of a bacterial multidrug ABC transporter.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		Y349 I356 G377 G379 K380 S381
Binding residue
(residue number reindexed from 1)		Y349 I356 G377 G379 K380 S381
Annotation score5
Enzymatic activity
Enzyme Commision number 7.6.2.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0034040 ATPase-coupled lipid transmembrane transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006869 lipid transport
GO:0055085 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:2hyd, PDBe:2hyd, PDBj:2hyd
PDBsum2hyd
PubMed16943773
UniProtQ99T13|Y1866_STAAM Putative multidrug export ATP-binding/permease protein SAV1866 (Gene Name=SAV1866)

[Back to BioLiP]