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Structure of PDB 8xay Chain E Binding Site BS02

Receptor Information
>8xay Chain E (length=567) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDINAEVVSVSPNKLKISVDDLEEFKIAEEKLGVGSYLRVSDNQDVALLA
IIDNFSIEVKESQKQKYMIEASPIGLVKNGKFYRGGDSLALPPKKVEPAK
LDEIISIYSDSIDINDRFTFSSLSLNTKVSVPVNGNRFFNKHIAIVGSTG
SGKSHTVAKILQKAVDEKQEGYKGLNNSHIIIFDIHSEYENAFPNSNVLN
VDTLTLPYWLLNGDELEELFLDTEANDHNQRNVFRQAITLNKKIHFQGDP
ATKEIISFHSPYYFDINEVINYINNRNNERKNKDNEHIWSDEEGNFKFDN
ENAHRLFKENVTPDGSSAGALNGKLLNFVDRLQSKIFDKRLDFILGEGSK
SVTFKETLETLISYGKDKSNITILDVSGVPFEVLSICVSLISRLIFEFGY
HSKKIKRKSNENQDIPILIVYEEAHKYAPKSDLSKYRTSKEAIERIAKEG
RKYGVTLLLASQRPSEISETIFSQCNTFISMRLTNPDDQNYVKRLLPDTV
GDITNLLPSLKEGEALIMGDSISIPSIVKIEKCTIPPSSIDIKYLDEWRK
EWVDSEFDKIIEQWSKS
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 chain8xay Chain E 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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PDB8xay Cryo-EM structure of an anti-phage complex
Resolution2.81 Å
Binding residue
(original residue number in PDB)		T153 G154 S155 G156 K157 S158 H159 E516 G517 K533 I534 K536
Binding residue
(residue number reindexed from 1)		T149 G150 S151 G152 K153 S154 H155 E512 G513 K529 I530 K532
Annotation score4
External links

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