2024-09-28_00000231
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ligand
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9DRF
Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (DTP bound, P21 form);
X-ray diffraction 1.78Å
Protein #1
218 residues (93% resolved)
Raw Sequence ...
MAHHHHHHMSKPTQQGITFSKNDVEIIARETLYRGFFSLDLYRFRHRLFNGGMSGEITREIFERGHAAVLLPFDPVRDEVVLVEQIRIAAYDTSESPWLLEMVAGMIEAGETVEDVARREALEEAGLEVGRTKPILSYLASPGGTSERLSILVGEVDASTAKGIHGLAEENEDIRVHVVSREQAYQWVEEGKIDNAASVIALQWLQLHYHNLRNEWTK
Canonical Sequence ...
MAHHHHHHMSKPTQQGITFSKNDVEIIARETLYRGFFSLDLYRFRHRLFNGGMSGEITREIFERGHAAVLLPFDPVRDEVVLVEQIRIAAYDTSESPWLLEMVAGMIEAGETVEDVARREALEEAGLEVGRTKPILSYLASPGGTSERLSILVGEVDASTAKGIHGLAEENEDIRVHVVSREQAYQWVEEGKIDNAASVIALQWLQLHYHNLRNEWTK
Non polymer #2
DTP
InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
SMILES: c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N
c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N
Non polymer #3
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Biounit #1
homo-dimer
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Biounit #2
homo-dimer
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Biounit #3
homo-dimer
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Biounit #4
homo-dimer
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Model
Reference
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