2026-02-14_00000391
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ligand
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9SG5
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH A MONOBACTAM (9);
X-ray diffraction 1.57Å
Protein #1
494 residues (95% resolved)
Raw Sequence ...
DISSISEITYSDGTVIASIESDMLRQDFLPSGTVTGISQDYLYFTTLAEAQERMYDYLAQRDNVSAKELKNEATQKFYRDLAAKEIENGGYKITTTIDQKIHSAMQSAVADYGYLLDDGTGRVEVGNVLMDNQTGAILGFVGGRNYQENQNNHAFDTKRSPASTTKPLLAYGIAIDQGLMGSETILSNYPTNFANGNPIMYANSKGTGMMTLGEALNYSWNIPAYWTYRMLRENGVDVKGYMEKMGYEIPEYGIESLPMGGGIEVTVAQHTNGYQTLANNGVYHQKHVISKIEAADGRVVYEYQDKPVQVYSKATATIMQGLLREVLSSRVTTTFKSNLTSLNPTLANADWIGKTGTTGQDENMWLMLSTPRLTLGGWIGHDDNHSLSQQAGYSNNSNYMAHLVNAIQQASPSIWGNERFALDPSVVKSEVLKSTGQKPGKVSVEGKEVEVTGSTVTSYWANKSGAPATSYRFAIGGSDADYQNAWSSIVGSLP
Canonical Sequence ...
DISSISEITYSDGTVIASIESDMLRQDFLPSGTVTGISQDYLYFTTLAEAQERMYDYLAQRDNVSAKELKNEATQKFYRDLAAKEIENGGYKITTTIDQKIHSAMQSAVADYGYLLDDGTGRVEVGNVLMDNQTGAILGFVGGRNYQENQNNHAFDTKRSPASTTKPLLAYGIAIDQGLMGSETILSNYPTNFANGNPIMYANSKGTGMMTLGEALNYSWNIPAYWTYRMLRENGVDVKGYMEKMGYEIPEYGIESLPMGGGIEVTVAQHTNGYQTLANNGVYHQKHVISKIEAADGRVVYEYQDKPVQVYSKATATIMQGLLREVLSSRVTTTFKSNLTSLNPTLANADWIGKTGTTGQDENMWLMLSTPRLTLGGWIGHDDNHSLSQQAGYSNNSNYMAHLVNAIQQASPSIWGNERFALDPSVVKSEVLKSTGQKPGKVSVEGKEVEVTGSTVTSYWANKSGAPATSYRFAIGGSDADYQNAWSSIVGSLP
Non polymer #2
A1JNO
InChI=1S/C14H17N3O5S/c1-9(17-23(20,21)22)13(8-18)16-14(19)6-10-7-15-12-5-3-2-4-11(10)12/h2-5,7-9,13,15,17H,6H2,1H3,(H,16,19)(H,20,21,22)/t9-,13+/m0/s1
InChI=1S/C14H17N3O5S/c1-9(17-23(20,21)22)13(8-18)16-14(19)6-10-7-15-12-5-3-2-4-11(10)12/h2-5,7-9,13,15,17H,6H2,1H3,(H,16,19)(H,20,21,22)/t9-,13+/m0/s1
SMILES: C[C@@H]([C@@H](C=O)NC(=O)Cc1c[nH]c2c1cccc2)NS(=O)(=O)O
C[C@@H]([C@@H](C=O)NC(=O)Cc1c[nH]c2c1cccc2)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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