Structure of PDB 7zdw Chain D Binding Site BS03

Receptor Information
>7zdw Chain D (length=586) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSRQKELTRWLKQQSVISQRWLNISRLLGFVSGILIIAQAWFMARILQHM
IMENIPREALLLPFTLLVLTFVLRAWVVWLRERVGYHAGQHIRFAIRRQV
LDRLQQAGPAWIQGKPAGSWATLVLEQIDDMHDYYARYLPQMALAVSVPL
LIVVAIFPSNWAAALILLGTAPLIPLFMALVGMGAADANRRNFLALARLS
GHFLDRLRGMETLRIFGRGEAEIESIRSASEDFRQRTMEVLRLAFLSSGI
LEFFTSLSIALVAVYFGFSYLGELDFGHYDTGVTLAAGFLALILAPEFFQ
PLRDLGTFYHAKAQAVGAADSLKTFMETPLAHPQRGEAELASTDPVTIEA
EELFITSPEGKTLAGPLNFTLPAGQRAVLVGRSGSGKSSLLNALSGFLSY
QGSLRINGIELRDLSPESWRKHLSWVGQNPQLPAATLRDNVLLARPDASE
QELQAALDNAWVSEFLPLLPQGVDTPVGDQAARLSVGQAQRVAVARALLN
PCSLLLLDEPAASLDAHSEQRVMEALNAASLRQTTLMVTHQLEDLADWDV
IWVMQDGRIIEQGRYAELSVAGGPFATLLAHRQEEI
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain7zdw Chain D Residue 603 [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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PDB7zdw IF(heme/confined) conformation of CydDC mutant (E500Q.C) in AMP-PNP(CydD) bound state (Dataset-22)
Resolution3.35 Å
Binding residue
(original residue number in PDB)		A112 S359 K363 L365 S385 G388 K389 S390 S391
Binding residue
(residue number reindexed from 1)		A110 S357 K361 L363 S383 G386 K387 S388 S389
Annotation score3
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:7zdw, PDBe:7zdw, PDBj:7zdw
PDBsum7zdw
PubMed37095238
UniProtP29018|CYDD_ECOLI Glutathione/L-cysteine transport system ATP-binding/permease protein CydD (Gene Name=cydD)

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