2026-07-25_00000233
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ligand
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9SQD
PaMurU in complex with their natural substrates (UTP and NAM-1P) and Mg2+ cofactor;
X-ray diffraction 1.95Å
Protein #1
239 residues (94% resolved)
Raw Sequence ...
MHHHHHHEFSQQDSDMKAMILAAGRGERMRPTTLHTPKPLIEAAGVPLIERQLLALRQAGVDDWVINHAWLGEQIEAYLGDGSRLGGRIAYSPEGEPLETGGGIFRALPLLGEQPFLLLNGDVWSDFDYSRLHLADGDLAHLVLVDNPAHHPAGDFHLDAGGRVGETREAGGNLTYSGIAVLHPALFEGCQPGAFKLAPLLRKAIAAGRVSGEHHRGQWVDVGTHERLAEVERLLAEHA
Canonical Sequence ...
MHHHHHHEFSQQDSDMKAMILAAGRGERMRPTTLHTPKPLIEAAGVPLIERQLLALRQAGVDDWVINHAWLGEQIEAYLGDGSRLGGRIAYSPEGEPLETGGGIFRALPLLGEQPFLLLNGDVWSDFDYSRLHLADGDLAHLVLVDNPAHHPAGDFHLDAGGRVGETREAGGNLTYSGIAVLHPALFEGCQPGAFKLAPLLRKAIAAGRVSGEHHRGQWVDVGTHERLAEVERLLAEHA
Non polymer #2
491
InChI=1S/C11H20NO11P/c1-4(10(16)17)21-9-7(12-5(2)14)11(23-24(18,19)20)22-6(3-13)8(9)15/h4,6-9,11,13,15H,3H2,1-2H3,(H,12,14)(H,16,17)(H2,18,19,20)/t4-,6-,7-,8-,9-,11-/m1/s1
InChI=1S/C11H20NO11P/c1-4(10(16)17)21-9-7(12-5(2)14)11(23-24(18,19)20)22-6(3-13)8(9)15/h4,6-9,11,13,15H,3H2,1-2H3,(H,12,14)(H,16,17)(H2,18,19,20)/t4-,6-,7-,8-,9-,11-/m1/s1
SMILES: C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C
C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C
Non polymer #3
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #4
UTP
InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O
Biounit #1
monomer
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Biounit #2
monomer
Download coordinates
Biounit #3
monomer
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Model
Reference
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