2026-02-14_00000398
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ligand
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9SGC
PENICILLIN-BINDING PROTEIN 1B (PBP-1B) IN COMPLEX WITH A MONOBACTAM (24);
X-ray diffraction 1.51Å
Protein #1
494 residues (94% resolved)
Raw Sequence ...
DISSISEITYSDGTVIASIESDMLRQDFLPSGTVTGISQDYLYFTTLAEAQERMYDYLAQRDNVSAKELKNEATQKFYRDLAAKEIENGGYKITTTIDQKIHSAMQSAVADYGYLLDDGTGRVEVGNVLMDNQTGAILGFVGGRNYQENQNNHAFDTKRSPASTTKPLLAYGIAIDQGLMGSETILSNYPTNFANGNPIMYANSKGTGMMTLGEALNYSWNIPAYWTYRMLRENGVDVKGYMEKMGYEIPEYGIESLPMGGGIEVTVAQHTNGYQTLANNGVYHQKHVISKIEAADGRVVYEYQDKPVQVYSKATATIMQGLLREVLSSRVTTTFKSNLTSLNPTLANADWIGKTGTTGQDENMWLMLSTPRLTLGGWIGHDDNHSLSQQAGYSNNSNYMAHLVNAIQQASPSIWGNERFALDPSVVKSEVLKSTGQKPGKVSVEGKEVEVTGSTVTSYWANKSGAPATSYRFAIGGSDADYQNAWSSIVGSLP
Canonical Sequence ...
DISSISEITYSDGTVIASIESDMLRQDFLPSGTVTGISQDYLYFTTLAEAQERMYDYLAQRDNVSAKELKNEATQKFYRDLAAKEIENGGYKITTTIDQKIHSAMQSAVADYGYLLDDGTGRVEVGNVLMDNQTGAILGFVGGRNYQENQNNHAFDTKRSPASTTKPLLAYGIAIDQGLMGSETILSNYPTNFANGNPIMYANSKGTGMMTLGEALNYSWNIPAYWTYRMLRENGVDVKGYMEKMGYEIPEYGIESLPMGGGIEVTVAQHTNGYQTLANNGVYHQKHVISKIEAADGRVVYEYQDKPVQVYSKATATIMQGLLREVLSSRVTTTFKSNLTSLNPTLANADWIGKTGTTGQDENMWLMLSTPRLTLGGWIGHDDNHSLSQQAGYSNNSNYMAHLVNAIQQASPSIWGNERFALDPSVVKSEVLKSTGQKPGKVSVEGKEVEVTGSTVTSYWANKSGAPATSYRFAIGGSDADYQNAWSSIVGSLP
Non polymer #2
A1JNP
InChI=1S/C10H16N6O6S2/c1-3-22-14-7(8-13-10(11)23-15-8)9(18)12-6(4-17)5(2)16-24(19,20)21/h4-6,16H,3H2,1-2H3,(H,12,18)(H2,11,13,15)(H,19,20,21)/b14-7-/t5-,6+/m0/s1
InChI=1S/C10H16N6O6S2/c1-3-22-14-7(8-13-10(11)23-15-8)9(18)12-6(4-17)5(2)16-24(19,20)21/h4-6,16H,3H2,1-2H3,(H,12,18)(H2,11,13,15)(H,19,20,21)/b14-7-/t5-,6+/m0/s1
SMILES: CCO/N=C(/c1nc(sn1)N)\C(=O)N[C@H](C=O)[C@H](C)NS(=O)(=O)O
CCO/N=C(/c1nc(sn1)N)\C(=O)N[C@H](C=O)[C@H](C)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
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Model
Reference
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