Structure of PDB 7sh1 Chain A Binding Site BS01

Receptor Information
>7sh1 Chain A (length=626) Species: 324833 (Streptomyces lasalocidi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CAADSHDMIRVHGARENNLKNVQVEIPKRRLTVFTGVSGSGKSSLVFDTI
AAESQRLINETYSAFIQLARPEVDVLDGLTTAILVDQQPMGLRSTVGTAT
DAGTLLRILFSRLAKPYIGTQKAFAFNVGGMCLACEGICSECHGTRLSET
ARSAKIDGLSIADASAMQISDLAAWIRGLTDPSVTTLLTVLGQTLESFVQ
IGLGYLSLDRSSSTLSGGEAQRVKMVRHLGSALTDVTYVFDEPTVGLHPH
DIQRMNELLLRLRDKGNTVLVVEHKPETIVIADHVVDLGPLAGTKGGEVV
FEGTVEGLRASGTVTGRHLDDRASLKPSVRQRTGVVEVRGADAHNLRDVD
VDIPLGVLTVVTGVAGSGKSSLIHGSVAGRDGVVTVDQSPIKGSRRSNPA
TYTGMLEPIRKTFAKANGVKPALFSPNSEGACPTCKGAGVIVATTCEDCG
GKRFQPSVLQYRVGGRDISEVFAMPVAEAAEFFRTGEARTPAACTVLDRL
AEVGLGYLSLGQPLTTLSGGERQRLKLAGHMGGAGSVYILDEPTSGLHLA
DVEQLLRLLDRLVDSGKTVIVVEHHQAVMAHADWIIDLGPGAGHDGGRVV
FEGTPADLVAARSTLTGEHLAQYVGA
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 chain7sh1 Chain A Residue 801 [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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PDB7sh1 Structural and functional analyses of the echinomycin resistance conferring protein Ecm16 from Streptomyces lasalocidi.
Resolution2.04 Å
Binding residue
(original residue number in PDB)		N31 N32 S52 G53 S54 G55 K56 S57 S58 Y673 L674 Q678 T682
Binding residue
(residue number reindexed from 1)		N17 N18 S38 G39 S40 G41 K42 S43 S44 Y507 L508 Q512 T516
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7sh1, PDBe:7sh1, PDBj:7sh1
PDBsum7sh1
PubMed37198233
UniProtQ0X0A9

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