2025-08-16_00000243
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ligand
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9HRU
The Lysozyme - pctx complex in space group P3121;
X-ray diffraction 1.88Å
Protein #1
129 residues (100% resolved)
Raw Sequence ...
KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Canonical Sequence ...
KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Non polymer #2
A1IXG
InChI=1S/C27H27O12P3/c1-10-11(2)23-17-8-19-21-9-20-18-7-16(17)22(10)34-40(28,29)36-24(18)12(3)13(4)26(20)38-42(32,33)39-27(21)15(6)14(5)25(19)37-41(30,31)35-23/h7-9H2,1-6H3,(H,28,29)(H,30,31)(H,32,33)
InChI=1S/C27H27O12P3/c1-10-11(2)23-17-8-19-21-9-20-18-7-16(17)22(10)34-40(28,29)36-24(18)12(3)13(4)26(20)38-42(32,33)39-27(21)15(6)14(5)25(19)37-41(30,31)35-23/h7-9H2,1-6H3,(H,28,29)(H,30,31)(H,32,33)
SMILES: Cc1c(c2c3c4c1OP(=O)(Oc5c(c(c6c(c5C4)Cc7c(c(c(c(c7OP(=O)(O6)O)C)C)OP(=O)(O2)O)C3)C)C)O)C
Cc1c(c2c3c4c1OP(=O)(Oc5c(c(c6c(c5C4)Cc7c(c(c(c(c7OP(=O)(O6)O)C)C)OP(=O)(O2)O)C3)C)C)O)C
Non polymer #3
MES
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
SMILES: C1COCC[NH+]1CCS(=O)(=O)[O-]
C1COCC[NH+]1CCS(=O)(=O)[O-]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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