Structure of PDB 7zda Chain C Binding Site BS02

Receptor Information
>7zda Chain C (length=572) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRALLPYLALYKRHKWMLSLGIVLAIVTLLASIGLLTLSGWFLSASAVAG
VAGLYSFNYMLPAAGVRGAAITRTAGRYFERLVSHDATFRVLQHLRIYTF
SKLLPLSPAGLARYRQGELLNRVVADVDTLDHLYLRVISPLVGAFVVIMV
VTIGLSFLDFTLAFTLGGIMLLTLFLMPPLFYRAGKSTGQNLTHLRGQYR
QQLTAWLQGQAELTIFGASDRYRTQLENTEIQWLEAQRRQSELTALSQAI
MLLIGALAVILMLWMASGGVGGNAQPGALIALFVFCALAAFEALAPVTGA
FQHLGQVIASAVRISDLTDQKPEVTFPDTQTRVADRVSLTLRDVQFTYPE
QSQQALKGISLQVNAGEHIAILGRTGCGKSTLLQQLTRAWDPQQGEILLN
DSPIASLNEAALRQTISVVPQRVHLFSATLRDNLLLASPGSSDEALSEIL
RRVGLEKLLEDAGLNSWLGEGGRQLSGGELRRLAIARALLHDAPLVLLDE
PTEGLDATTESQILELLAEMMREKTVLMVTHRLRGLSRFQQIIVMDNGQI
IEQGTHAELLARQGRYYQFKQG
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 chain7zda 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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PDB7zda IF(apo/asym) conformation of CydDC in ADP+Pi(CydC)/ATP(CydD) bound state
Resolution3.17 Å
Binding residue
(original residue number in PDB)		A112 Y348 G376 G378 K379 S380 T381
Binding residue
(residue number reindexed from 1)		A112 Y348 G376 G378 K379 S380 T381
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:0042626 ATPase-coupled transmembrane transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006865 amino acid transport
GO:0033228 cysteine export across plasma membrane
GO:0034775 glutathione transmembrane transport
GO:0035351 heme transmembrane 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:7zda, PDBe:7zda, PDBj:7zda
PDBsum7zda
PubMed37095238
UniProtP23886|CYDC_ECOLI Glutathione/L-cysteine transport system ATP-binding/permease protein CydC (Gene Name=cydC)

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