2026-05-23_00000030|ligand|13IV

E. coli DaK bound to peptide PA1, structure A; X-ray diffraction 3.23Å

Protein #1 219 residues (100% resolved)

Raw Sequence ...

VLLLDVTPLSLGIETMGGVMTTLIAKNTTIPTKHSQVFSTAEDNQSAVTIHVLQGERKRAADNKSLGQFNLDGINPAPRGMPQIEVTFDIDADGILHVSAKDKNSGKEQKITIKASSGLNEDEIQKMVRDAEANAEADRKFEELVQTRNQGDHLLHSTRKQVEEAGDKLPADDKTAIESALTALETALKGEDKAAIEAKMQELAQVSQKLMEIAQQQHA

Canonical Sequence ...

Non polymer #2 A1DFX

InChI=1S/C40H55N7O7/c1-2-13-29(35(48)44-30(40(53)54)24-26-14-6-3-7-15-26)43-37(50)32-20-12-23-47(32)39(52)34(28-18-10-5-11-19-28)46-38(51)33(27-16-8-4-9-17-27)45-36(49)31-25-41-21-22-42-31/h3,6-7,14-15,21-22,25,27-30,32-34H,2,4-5,8-13,16-20,23-24H2,1H3,(H,43,50)(H,44,48)(H,45,49)(H,46,51)(H,53,54)/t29-,30-,32-,33-,34-/m0/s1

InChI=1S/C40H55N7O7/c1-2-13-29(35(48)44-30(40(53)54)24-26-14-6-3-7-15-26)43-37(50)32-20-12-23-47(32)39(52)34(28-18-10-5-11-19-28)46-38(51)33(27-16-8-4-9-17-27)45-36(49)31-25-41-21-22-42-31/h3,6-7,14-15,21-22,25,27-30,32-34H,2,4-5,8-13,16-20,23-24H2,1H3,(H,43,50)(H,44,48)(H,45,49)(H,46,51)(H,53,54)/t29-,30-,32-,33-,34-/m0/s1

SMILES: CCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5

CCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C3CCCCC3)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5

Biounit #1 monomer

Biounit #2 monomer

Reference