2024-04-13_00000150
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hard
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8RHE
Lytic Transglycosylase MltD of Pseudomonas aeruginosa bound to the Natural Product Bulgecin A;
X-ray diffraction 1.95Å
Protein #1
338 residues (82% resolved)
Raw Sequence ...
MGSSHHHHHHSSGENLYFQGIWDRMRDGFQLQDAISTNPRIERQRLWFLSNQSFLEQSSARGSLYMHYVVERLEERNMPLELALLPVIESAYNPFALSRSNAAGLWQFIPATGQHFNLRQTNFYDGRRDITASTNAALTYLERLHDMFNGDWMLALAAYNAGEGTVSRAIERNEKLGLPTDYWNLPLPQETQDYVPKLLALSQIVMAPDSYGISLNPINNEPYFQAVRVKRGIDLSSVAALANLDEDELYQLNPAYKRRVTMDGPQQLLVPMEKAAFLTASLDTLKPKEVTAWQQYRVRSGDSLHSIANRYRITVAELKSANRLSSNHLRKGQQLSIP
Canonical Sequence ...
MGSSHHHHHHSSGENLYFQGIWDRMRDGFQLQDAISTNPRIERQRLWFLSNQSFLEQSSARGSLYMHYVVERLEERNMPLELALLPVIESAYNPFALSRSNAAGLWQFIPATGQHFNLRQTNFYDGRRDITASTNAALTYLERLHDMFNGDWMLALAAYNAGEGTVSRAIERNEKLGLPTDYWNLPLPQETQDYVPKLLALSQIVMAPDSYGISLNPINNEPYFQAVRVKRGIDLSSVAALANLDEDELYQLNPAYKRRVTMDGPQQLLVPMEKAAFLTASLDTLKPKEVTAWQQYRVRSGDSLHSIANRYRITVAELKSANRLSSNHLRKGQQLSIP
Non polymer #2
BLG
InChI=1S/C16H29N3O14S2/c1-7(22)18-12-13(23)14(33-35(28,29)30)11(6-21)32-16(12)31-10-4-8(19-9(10)5-20)15(24)17-2-3-34(25,26)27/h8-14,16,19-21,23H,2-6H2,1H3,(H,17,24)(H,18,22)(H,25,26,27)(H,28,29,30)/p+1/t8-,9+,10-,11+,12+,13+,14+,16+/m0/s1
InChI=1S/C16H29N3O14S2/c1-7(22)18-12-13(23)14(33-35(28,29)30)11(6-21)32-16(12)31-10-4-8(19-9(10)5-20)15(24)17-2-3-34(25,26)27/h8-14,16,19-21,23H,2-6H2,1H3,(H,17,24)(H,18,22)(H,25,26,27)(H,28,29,30)/p+1/t8-,9+,10-,11+,12+,13+,14+,16+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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