Structure of PDB 8bmp Chain B Binding Site BS01

Receptor Information
>8bmp Chain B (length=281) 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]
AIKFENVSYVYSPGSPLEAIGLDQLNFSLEEGKFIALVGHTGSGKSTLMQ
HFNALLKPTSGKIEIAGYTITPETGNKGLKDLRRKVSLAFQFSEAQLFEN
TVLKDVEYGPRNFGFSEDEAREAALKWLKKVGLKDDLIEHSPFDLSGGQM
RRVALAGVLAYEPEIICLDEPAAGLDPMGRLEMMQLFKDYQAAGHTVILV
THNMDDVADYADDVLALEHGRLIKHASPKEVFKDSEWLQKHHLAEPRSAR
FAAKLEAAGLKLPGQPLTMPELADAIKQSLK
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 chain8bmp Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bmp Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		Y12 G43 G45 S47 T48
Binding residue
(residue number reindexed from 1)		Y11 G42 G44 S46 T47
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.3.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016787 hydrolase activity
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:8bmp, PDBe:8bmp, PDBj:8bmp
PDBsum8bmp
PubMed37491368
UniProtQ1GBI9|ECFA2_LACDA Energy-coupling factor transporter ATP-binding protein EcfA2 (Gene Name=ecfA2)

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