Structure of PDB 2olj Chain B Binding Site BS01

Receptor Information
>2olj Chain B (length=242) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQMIDVHQLKKSFGSLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLN
LLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNI
TLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIA
RALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGF
AREVGDRVLFMDGGYIIEEGKPEDLFDRPQHERTKAFLSKVF
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 chain2olj Chain B Residue 402 [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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PDB2olj Crystal structures of the ATP-binding cassette (ABC) protein ArtP from Geobacillus stearothermophilus reveal a stable dimer in the post hydrolysis state and an asymmetry in the dimerization region
Resolution2.05 Å
Binding residue
(original residue number in PDB)		F11 V16 S36 G37 S38 G39 K40 S41 T42
Binding residue
(residue number reindexed from 1)		F13 V18 S38 G39 S40 G41 K42 S43 T44
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.3.21: Transferred entry: 7.4.2.1.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0015424 ABC-type amino acid transporter activity
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0003333 amino acid transmembrane transport

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2olj, PDBe:2olj, PDBj:2olj
PDBsum2olj
PubMed
UniProtD0VWX4

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