2026-10-17_00000188
|
ligand
|
9TLD
Cefdinir bound Class A CTX-M-14 mutant E166A at Cryo SSX;
X-ray diffraction 1.60Å
Protein #1
260 residues (100% resolved)
Raw Sequence ...
SAVQQKLAALEKSSGGRLGVALIDTADNTQVLYRGDERFPMCSTSKVMAAAAVLKQSETQKQLLNQPVEIKPADLVNYNPIAEKHVNGTMTLAELSAAALQYSDNTAMNKLIAQLGGPGGVTAFARAIGDETFRLDRTAPTLNTAIPGDPRDTTTPRAMAQTLRQLTLGHALGETQRAQLVTWLKGNTTGAASIRAGLPTSWTVGDKTGSGDYGTTNDIAVIWPQGRAPLVLVTYFTQPQQNAESRRDVLASAARIIAEG
Canonical Sequence ...
SAVQQKLAALEKSSGGRLGVALIDTADNTQVLYRGDERFPMCSTSKVMAAAAVLKQSETQKQLLNQPVEIKPADLVNYNPIAEKHVNGTMTLAELSAAALQYSDNTAMNKLIAQLGGPGGVTAFARAIGDETFRLDRTAPTLNTAIPGDPRDTTTPRAMAQTLRQLTLGHALGETQRAQLVTWLKGNTTGAASIRAGLPTSWTVGDKTGSGDYGTTNDIAVIWPQGRAPLVLVTYFTQPQQNAESRRDVLASAARIIAEG
Non polymer #2
A1JWU
InChI=1S/C14H15N5O5S2/c1-2-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24)8-5-26-14(15)17-8/h2-3,5,7,12,18,24H,1,4H2,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12-/m1/s1
InChI=1S/C14H15N5O5S2/c1-2-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24)8-5-26-14(15)17-8/h2-3,5,7,12,18,24H,1,4H2,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12-/m1/s1
SMILES: C=CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)/C(=N\O)/c2csc(n2)N)C(=O)O
C=CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)/C(=N\O)/c2csc(n2)N)C(=O)O
Biounit #1
monomer
Download coordinates
Tube
Model
Reference
100%