Structure of PDB 8ce5 Chain a Binding Site BS02

Receptor Information
>8ce5 Chain a (length=203) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGMLEARELLCERDERTLFSGLSFTLNAGEWVQITGSNGAGKTTLLRLLT
GLSRPDAGEVLWQGQPLHQVRDSYHQNLLWIGHQPGIKTRLTALENLHFY
HRDGDTAQCLEALAQAGLAGFEDIPVNQLSAGQQRRVALARLWLTRATLW
ILDQPFTAIDVNGVDRLTQRMAQHTEQGGIVILTTHQPLNVAESKIRRIS
LTQ
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 chain8ce5 Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ce5 Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation.
Resolution3.62 Å
Binding residue
(original residue number in PDB)		R13 L18 N38 A40 K42 T43 T44
Binding residue
(residue number reindexed from 1)		R13 L18 N38 A40 K42 T43 T44
Annotation score5
Enzymatic activity
Enzyme Commision number 7.6.2.5: ABC-type heme transporter.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0015439 ABC-type heme transporter activity
GO:0016887 ATP hydrolysis activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0017004 cytochrome complex assembly
GO:1903607 cytochrome c biosynthetic process
GO:1904334 heme import across plasma membrane
Cellular Component
GO:0005886 plasma 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:8ce5, PDBe:8ce5, PDBj:8ce5
PDBsum8ce5
PubMed37626034
UniProtP33931|CCMA_ECOLI Cytochrome c biogenesis ATP-binding export protein CcmA (Gene Name=ccmA)

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