Structure of PDB 8bms Chain A Binding Site BS01

Receptor Information
>8bms Chain A (length=278) Species: 390333 (Lactobacillus delbrueckii subsp. bulgaricus ATCC 11842 = JCM 1002) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDNIISFDHVTFTDSPRPALSDLSFAIERGSWTALIGHNGSGKSTVSKLI
NGLLAPDDLDKSSITVDGVKLGADTVWEVREKVGIVFQNPDNQFVGATVS
DDVAFGLENRAVPRPEMLKIVAQAVADVGMADYADSEPSNLSGGQKQRVA
IAGILAVKPQVIILDQSTSMLDPEGKEQILDLVRKIKEDNNLTVISITHD
LEEAAGADQVLVLDDGQLLDQGKPEEIFPKVEMLKRIGLDIPFVYRLKQL
LKERGIVLPDEIDDDEKLVQSLWQLNSK
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 chain8bms Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bms Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		F13 N42 G43 S44 G45 K46 S47 T48 Q91 Q169 H202
Binding residue
(residue number reindexed from 1)		F12 N39 G40 S41 G42 K43 S44 T45 Q88 Q166 H199
Annotation score5
Enzymatic activity
Enzyme Commision number 7.-.-.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0022857 transmembrane transporter activity
GO:0042626 ATPase-coupled transmembrane transporter activity
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0043190 ATP-binding cassette (ABC) transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8bms, PDBe:8bms, PDBj:8bms
PDBsum8bms
PubMed37491368
UniProtQ1GBJ0|ECFA1_LACDA Energy-coupling factor transporter ATP-binding protein EcfA1 (Gene Name=ecfA1)

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