2025-09-13_00000033|ligand|9D9E

Candida albicans Hsp90 nucleotide binding domain in complex with BRI2217; X-ray diffraction 2.03Å
Protein #1 221 residues (96% resolved)

GMADAKVETHEFTAEISQLMSLIINTVYSNKEIFLRELISNASDALDKIRYQALSDPSQLESEPELFIRIIPQKDQKVLEIRDSGIGMTKADLVNNLGTIAKSGTKSFMEALSAGADVSMIGQFGVGFYSLFLVADHVQVISKHNDDEQYVWESNAGGKFTVTLDETNERLGRGTMLRLFLKEDQLEYLEEKRIKEVVKKHSEFVAYPIQLVVTKEVEKEV

GMADAKVETHEFTAEISQLMSLIINTVYSNKEIFLRELISNASDALDKIRYQALSDPSQLESEPELFIRIIPQKDQKVLEIRDSGIGMTKADLVNNLGTIAKSGTKSFMEALSAGADVSMIGQFGVGFYSLFLVADHVQVISKHNDDEQYVWESNAGGKFTVTLDETNERLGRGTMLRLFLKEDQLEYLEEKRIKEVVKKHSEFVAYPIQLVVTKEVEKEV
Non polymer #2 A1A27

InChI=1S/C37H35F2N9O4S/c38-23-6-8-27(28(39)16-23)37(51,20-46-22-41-21-42-46)19-45-12-10-24(11-13-45)43-34(49)32-18-30-35(53-32)44-33(40)36(50)48(30)26-7-9-31-29(17-26)47(14-15-52-31)25-4-2-1-3-5-25/h1-9,16-18,21-22,24,51H,10-15,19-20H2,(H2,40,44)(H,43,49)/t37-/m0/s1

c1ccc(cc1)N2CCOc3c2cc(cc3)N4c5cc(sc5N=C(C4=O)N)C(=O)NC6CCN(CC6)C[C@](Cn7cncn7)(c8ccc(cc8F)F)O
Non polymer #3 CL

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

[Cl-]
Non polymer #4 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

CS(=O)C
Download coordinates
Download coordinates
Reference