2025-02-15_00000186
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ligand
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9K2B
Structure of ClpP from Staphylococcus aureus in complex with ZY18;
X-ray diffraction 2.45Å
Protein #1
201 residues (95% resolved)
Raw Sequence ...
MNLIPTVIETTNRGERAYDIYSRLLKDRIIMLGSQIDDNVANSIVSQLLFLQAQDSEKDIYLYINSPGGSVTAGFAIYDTIQHIKPDVQTICIGMAASMGSFLLAAGAKGKRFALPNAEVMIHQPLGGAQGQATEIEIAANHILKTREKLNRILSERTGQSIEKIQKDTDRDNFLTAEEAKEYGLIDEVMVPETKHHHHHH
Canonical Sequence ...
MNLIPTVIETTNRGERAYDIYSRLLKDRIIMLGSQIDDNVANSIVSQLLFLQAQDSEKDIYLYINSPGGSVTAGFAIYDTIQHIKPDVQTICIGMAASMGSFLLAAGAKGKRFALPNAEVMIHQPLGGAQGQATEIEIAANHILKTREKLNRILSERTGQSIEKIQKDTDRDNFLTAEEAKEYGLIDEVMVPETKHHHHHH
Non polymer #2
A1EEL
InChI=1S/C28H38N4O3/c1-5-19(3)16-29-28(35)31-15-14-25(33)32-24(31)18-30(27(34)26(32)20(4)6-2)17-22-12-9-11-21-10-7-8-13-23(21)22/h7-13,19-20,24,26H,5-6,14-18H2,1-4H3,(H,29,35)/t19-,20-,24+,26-/m0/s1
InChI=1S/C28H38N4O3/c1-5-19(3)16-29-28(35)31-15-14-25(33)32-24(31)18-30(27(34)26(32)20(4)6-2)17-22-12-9-11-21-10-7-8-13-23(21)22/h7-13,19-20,24,26H,5-6,14-18H2,1-4H3,(H,29,35)/t19-,20-,24+,26-/m0/s1
SMILES: CC[C@H](C)CNC(=O)N1CCC(=O)N2[C@@H]1CN(C(=O)[C@@H]2[C@@H](C)CC)Cc3cccc4c3cccc4
CC[C@H](C)CNC(=O)N1CCC(=O)N2[C@@H]1CN(C(=O)[C@@H]2[C@@H](C)CC)Cc3cccc4c3cccc4
Non polymer #3
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #4
MPD
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
SMILES: C[C@@H](CC(C)(C)O)O
C[C@@H](CC(C)(C)O)O
Biounit #1
homo-14-mer
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Model
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