Structure of PDB 8ipt Chain A Binding Site BS02

Receptor Information
>8ipt Chain A (length=588) Species: 469008 (Escherichia coli BL21(DE3)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNKSRQKELTRWLKQQSVISQRWLNISRLLGFVSGILIIAQAWFMARILQ
HMIMENIPREALLLPFTLLVLTFVLRAWVVWLRERVGYHAGQHIRFAIRR
QVLDRLQQAGPAWIQGKPAGSWATLVLEQIDDMHDYYARYLPQMALAVSV
PLLIVVAIFPSNWAAALILLGTAPLIPLFMALVGMGAADANRRNFLALAR
LSGHFLDRLRGMETLRIFGRGEAEIESIRSASEDFRQRTMEVLRLAFLSS
GILEFFTSLSIALVAVYFGFSYLGELDFGHYDTGVTLAAGFLALILAPEF
FQPLRDLGTFYHAKAQAVGAADSLKTFMETPLAHPQRGEAELALTDPLTI
EAEDLFITSPEGKTLAGPLNFTLPAGQRAVLVGRSGSGKSSLLNALSGFL
SYQGSLRINGIELRDLSPESWRKHLSWVGQNPQLPAATLRDNVLLARPDA
SEQELQAALDNAWVSEFLPLLPQGVDTPVGDQAARLSVGQAQRVAVARAL
LNPCSLLLLDQPAASLDAHSEQRVMEALNAASLRQTTLMVTHQLEDLADW
DVIWVMQDGRIIEQGRYAELSVAGGPFATLLAHRQEEI
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 chain8ipt Chain A Residue 601 [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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PDB8ipt Cryo-EM structures of a prokaryotic heme transporter CydDC.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		S359 S385 G386 S387 G388 K389 S390 S391
Binding residue
(residue number reindexed from 1)		S359 S385 G386 S387 G388 K389 S390 S391
Annotation score5
Enzymatic activity
Enzyme Commision number 7.4.2.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0015439 ABC-type heme transporter activity
GO:0016887 ATP hydrolysis activity
GO:0034040 ATPase-coupled lipid transmembrane transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006865 amino acid transport
GO:0006869 lipid transport
GO:0033228 cysteine export across plasma membrane
GO:0034775 glutathione transmembrane transport
GO:0035351 heme transmembrane transport
GO:0042883 cysteine transport
GO:0045454 cell redox homeostasis
GO:0055085 transmembrane transport
GO:1903605 cytochrome biosynthetic process
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:0055051 ATP-binding cassette (ABC) transporter complex, integrated substrate binding

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8ipt, PDBe:8ipt, PDBj:8ipt
PDBsum8ipt
PubMed37144855
UniProtP29018|CYDD_ECOLI Glutathione/L-cysteine transport system ATP-binding/permease protein CydD (Gene Name=cydD)

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