Structure of PDB 7zdu Chain D Binding Site BS01

Receptor Information
>7zdu Chain D (length=585) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKSRQKELTRWLKQQSVISQRWLNISRLLGFVSGILIIAQAWFMARILQH
MIMENIPREALLLPFTLLVLTFVLRAWVVWLRERVGYHAGQHIRFAIRRQ
VLDRLQQAGPAWIQGKPAGSWATLVLEQIDDMHDYYARYLPQMALAVSVP
LLIVVAIFPSNWAAALILLGTAPLIPLFMALVGMGAADANRRNFLALARL
SGHFLDRLRGMETLRIFGRGEAEIESIRSASEDFRQRTMEVLRLAFLSSG
ILEFFTSLSIALVAVYFGFSYLGELDFGHYDTGVTLAAGFLALILAPEFF
QPLRDLGTFYHAKAQAVGAADSLKTFMETPLAHPQRGEAELASTDPVTIE
AEELFITSPEGKTLAGPLNFTLPAGQRAVLVGRSGSGKSSLLNALSGFLS
YQGSLRINGIELRDLSPESWRKHLSWVGQNPQLPAATLRDNVLLARPDAS
EQELQAALDNAWVSEFLPLLPQGVDTPVGDQAARLSVGQAQRVAVARALL
NPCSLLLLDEPAASLDAHSEQRVMEALNAASLRQTTLMVTHQLEDLADWD
VIWVMQDGRIIEQGRYAELSVAGGPFATLLAHRQE
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 chain7zdu Chain C Residue 602 [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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PDB7zdu Occ(apo/return) conformation of CydDC mutant (E500Q.C) in ATP(CydC)/ATP(CydD) bound state (Dataset-19)
Resolution2.98 Å
Binding residue
(original residue number in PDB)		A484 R485 S487 G489 Q490
Binding residue
(residue number reindexed from 1)		A483 R484 S486 G488 Q489
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:7zdu, PDBe:7zdu, PDBj:7zdu
PDBsum7zdu
PubMed37095238
UniProtP29018|CYDD_ECOLI Glutathione/L-cysteine transport system ATP-binding/permease protein CydD (Gene Name=cydD)

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