2026-05-02_00000007|hard|11CI

Staphylococcus aureus-specific lysin L1-3 (LysM-CHAP) covalently complexed to Pep1a-CMK substrate mimic; X-ray diffraction 2.83Å

Protein #1 215 residues (88% resolved)

Raw Sequence ...

REAPKTQIYTVKKGDTLSAIALKYKTTVSNIQNTNNIANPNLIFIGQKLKVPMTPLVEPKPETVSGNEKSNSGSSTLNYLKSLEGKGWDFDGSFGWQCFDLVNVYWNHLYGHGLKGYYAKDIPYANNFNSEAKIYHNTPTFKAEPGDLVVFSGRYGGGYGHTAIVLNGNYDGNLQKFQSLDQNWNGGGERKQEVAHKVVHNYENDMIFIRPFKKA

Canonical Sequence ...

Non polymer #2 A1DEZ

InChI=1S/C47H58N8O13/c1-24(26(3)56)51-46(65)37(9-5-7-19-48)54-40(60)18-17-35(42(49)61)55-43(62)25(2)52-45(64)36(53-27(4)57)10-6-8-20-50-44(63)28-11-14-31(34(21-28)47(66)67)41-32-15-12-29(58)22-38(32)68-39-23-30(59)13-16-33(39)41/h11-16,21-25,35-37,58H,5-10,17-20,48H2,1-4H3,(H2,49,61)(H,50,63)(H,51,65)(H,52,64)(H,53,57)(H,54,60)(H,55,62)(H,66,67)/t24-,25+,35-,36-,37+/m1/s1

InChI=1S/C47H58N8O13/c1-24(26(3)56)51-46(65)37(9-5-7-19-48)54-40(60)18-17-35(42(49)61)55-43(62)25(2)52-45(64)36(53-27(4)57)10-6-8-20-50-44(63)28-11-14-31(34(21-28)47(66)67)41-32-15-12-29(58)22-38(32)68-39-23-30(59)13-16-33(39)41/h11-16,21-25,35-37,58H,5-10,17-20,48H2,1-4H3,(H2,49,61)(H,50,63)(H,51,65)(H,52,64)(H,53,57)(H,54,60)(H,55,62)(H,66,67)/t24-,25+,35-,36-,37+/m1/s1

SMILES: C[C@H](C(=O)C)NC(=O)[C@H](CCCCN)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCCNC(=O)c1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)NC(=O)C

C[C@H](C(=O)C)NC(=O)[C@H](CCCCN)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCCNC(=O)c1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)NC(=O)C

Non polymer #3 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Biounit #1 monomer

Reference