Structure of PDB 6pan Chain B Binding Site BS02

Receptor Information
>6pan Chain B (length=573) Species: 279238 (Novosphingobium aromaticivorans DSM 12444) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNAVLRRRVVGAILMVLLGKATTLALPFAYKKAVDAMTLGGGAQPALTVA
LAFVLAYALGRFSGVLFDNLRNIVFERVGQDATRHLAENVFARLHKLSLR
FHLARRTGEVTKVIERGTKSIDTMLYFLLFNIAPTVIELTAVIVIFWLNF
GLGLVTATILAVIAYVWTTRTITEWRTHLREKMNRLDGQALARAVDSLLN
YETVKYFGAESREEARYASAARAYADAAVKSENSLGLLNIAQALIVNLLM
AGAMAWTVYGWSQGKLTVGDLVFVNTYLTQLFRPLDMLGMVYRTIRQGLI
DMAEMFRLIDTHIEVADVPNAPALVVNRPSVTFDNVVFGYDRDREILHGL
SFEVAAGSRVAIVGPSGAGKSTIARLLFRFYDPWEGRILIDGQDIAHVTQ
TSLRAALGIVPQDSVLFNDTIGYNIAYGRDGASRAEVDAAAKGAAIADFI
ARLPQGYDTEVGERGLKLSGGEKQRVAIARTLVKNPPILLFDEATCALDT
RTEQDILSTMRAVASHRTTISIAHRLSTIADSDTILVLDQGRLAEQGSHL
DLLRRDGLYAEMWARQAAESAEV
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6pan 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]
PDB6pan A structural framework for unidirectional transport by a bacterial ABC exporter.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		Y370 R374 S396 G397 G399 K400 S401 T402 H554
Binding residue
(residue number reindexed from 1)		Y340 R344 S366 G367 G369 K370 S371 T372 H524
Annotation score5
Enzymatic activity
Enzyme Commision number 7.-.-.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0046689 response to mercury ion
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:6pan, PDBe:6pan, PDBj:6pan
PDBsum6pan
PubMed32703810
UniProtQ2G506|ATM1_NOVAD ATM1-type heavy metal exporter (Gene Name=atm1)

[Back to BioLiP]