2024-11-02_00000359|ligand|9GHY

Cyclophilin A in complex with Sanglifehrin A analogue (2R,3S,7S,10S,E)-10-(3-aminopropyl)-2,7-dimethylspiro[3,8,11-triaza-1(2,7)-quinolina-5(3,1)-pyridazinacyclopentadecaphanene-13,5'-[1,3]dioxan]-14-ene-4,6,9,12-tetraone; X-ray diffraction 1.15Å
Protein #1 167 residues (100% resolved)

GHMVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE

GHMVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE
Non polymer #2 A1ILH

InChI=1S/C31H41N7O6/c1-19-23-10-9-22-8-7-21(15-26(22)35-23)11-12-31(16-43-18-44-17-31)30(42)36-24(5-3-13-32)27(39)34-20(2)29(41)38-14-4-6-25(37-38)28(40)33-19/h7-12,15,19-20,24-25,37H,3-6,13-14,16-18,32H2,1-2H3,(H,33,40)(H,34,39)(H,36,42)/b12-11+/t19-,20+,24+,25+/m1/s1

C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C4(COCOC4)C(=O)N[C@H](C(=O)N[C@H](C(=O)N5CCC[C@H](N5)C(=O)N1)C)CCCN
Non polymer #3 CL

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

[Cl-]
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