2026-02-14_00000397
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ligand
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9SGB
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH A MONOBACTAM (22);
X-ray diffraction 1.52Å
Protein #1
494 residues (95% resolved)
Raw Sequence ...
DISSISEITYSDGTVIASIESDMLRQDFLPSGTVTGISQDYLYFTTLAEAQERMYDYLAQRDNVSAKELKNEATQKFYRDLAAKEIENGGYKITTTIDQKIHSAMQSAVADYGYLLDDGTGRVEVGNVLMDNQTGAILGFVGGRNYQENQNNHAFDTKRSPASTTKPLLAYGIAIDQGLMGSETILSNYPTNFANGNPIMYANSKGTGMMTLGEALNYSWNIPAYWTYRMLRENGVDVKGYMEKMGYEIPEYGIESLPMGGGIEVTVAQHTNGYQTLANNGVYHQKHVISKIEAADGRVVYEYQDKPVQVYSKATATIMQGLLREVLSSRVTTTFKSNLTSLNPTLANADWIGKTGTTGQDENMWLMLSTPRLTLGGWIGHDDNHSLSQQAGYSNNSNYMAHLVNAIQQASPSIWGNERFALDPSVVKSEVLKSTGQKPGKVSVEGKEVEVTGSTVTSYWANKSGAPATSYRFAIGGSDADYQNAWSSIVGSLP
Canonical Sequence ...
DISSISEITYSDGTVIASIESDMLRQDFLPSGTVTGISQDYLYFTTLAEAQERMYDYLAQRDNVSAKELKNEATQKFYRDLAAKEIENGGYKITTTIDQKIHSAMQSAVADYGYLLDDGTGRVEVGNVLMDNQTGAILGFVGGRNYQENQNNHAFDTKRSPASTTKPLLAYGIAIDQGLMGSETILSNYPTNFANGNPIMYANSKGTGMMTLGEALNYSWNIPAYWTYRMLRENGVDVKGYMEKMGYEIPEYGIESLPMGGGIEVTVAQHTNGYQTLANNGVYHQKHVISKIEAADGRVVYEYQDKPVQVYSKATATIMQGLLREVLSSRVTTTFKSNLTSLNPTLANADWIGKTGTTGQDENMWLMLSTPRLTLGGWIGHDDNHSLSQQAGYSNNSNYMAHLVNAIQQASPSIWGNERFALDPSVVKSEVLKSTGQKPGKVSVEGKEVEVTGSTVTSYWANKSGAPATSYRFAIGGSDADYQNAWSSIVGSLP
Non polymer #2
A1JNQ
InChI=1S/C15H23N5O8S2/c1-8(20-30(24,25)26)9(5-21)17-13(23)12(10-7-29-14(16)18-10)19-27-6-11(22)28-15(2,3)4/h5,7-9,20H,6H2,1-4H3,(H2,16,18)(H,17,23)(H,24,25,26)/t8-,9+/m0/s1
InChI=1S/C15H23N5O8S2/c1-8(20-30(24,25)26)9(5-21)17-13(23)12(10-7-29-14(16)18-10)19-27-6-11(22)28-15(2,3)4/h5,7-9,20H,6H2,1-4H3,(H2,16,18)(H,17,23)(H,24,25,26)/t8-,9+/m0/s1
SMILES: C[C@@H]([C@@H](C=O)NC(=O)C(=NOCC(=O)OC(C)(C)C)c1csc(n1)N)NS(=O)(=O)O
C[C@@H]([C@@H](C=O)NC(=O)C(=NOCC(=O)OC(C)(C)C)c1csc(n1)N)NS(=O)(=O)O
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
TAU
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
SMILES: C(CS(=O)(=O)O)N
C(CS(=O)(=O)O)N
Biounit #1
monomer
Download coordinates
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Model
Reference
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