2026-05-23_00000032|ligand|13JK

E. coli DnaK bound to peptide PA5; X-ray diffraction 2.62Å

Protein #1 219 residues (98% resolved)

Raw Sequence ...

VLLLDVTPLSLGIETMGGVMTTLIAKNTTIPTKHSQVFSTAEDNQSAVTIHVLQGERKRAADNKSLGQFNLDGINPAPRGMPQIEVTFDIDADGILHVSAKDKNSGKEQKITIKASSGLNEDEIQKMVRDAEANAEADRKFEELVQTRNQGDHLLHSTRKQVEEAGDKLPADDKTAIESALTALETALKGEDKAAIEAKMQELAQVSQKLMEIAQQQHA

Canonical Sequence ...

Non polymer #2 A1DHT

InChI=1S/C41H57N7O7/c1-2-13-30(36(49)46-32(41(54)55)25-28-16-8-4-9-17-28)44-39(52)34-20-12-23-48(34)40(53)35(29-18-10-5-11-19-29)47-37(50)31(24-27-14-6-3-7-15-27)45-38(51)33-26-42-21-22-43-33/h4,8-9,16-17,21-22,26-27,29-32,34-35H,2-3,5-7,10-15,18-20,23-25H2,1H3,(H,44,52)(H,45,51)(H,46,49)(H,47,50)(H,54,55)/t30-,31-,32-,34-,35-/m0/s1

InChI=1S/C41H57N7O7/c1-2-13-30(36(49)46-32(41(54)55)25-28-16-8-4-9-17-28)44-39(52)34-20-12-23-48(34)40(53)35(29-18-10-5-11-19-29)47-37(50)31(24-27-14-6-3-7-15-27)45-38(51)33-26-42-21-22-43-33/h4,8-9,16-17,21-22,26-27,29-32,34-35H,2-3,5-7,10-15,18-20,23-25H2,1H3,(H,44,52)(H,45,51)(H,46,49)(H,47,50)(H,54,55)/t30-,31-,32-,34-,35-/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](CC4CCCCC4)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](CC4CCCCC4)NC(=O)c5cnccn5

Non polymer #3 IOD

InChI=1S/HI/h1H/p-1

SMILES: [I-]

[I-]

Biounit #1 monomer

Biounit #2 monomer

Reference