2025-09-06_00000210|ligand|9OWA

Human WRN helicase in complex with allosteric ligand Compound 2; X-ray diffraction 1.98Å
Protein #1 443 residues (95% resolved)

NLGLPTKEEEEDDENEANEGEEDDDKDFLWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHSVLEERRDNVAVMATGYGKSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFLGSAQSENVLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISEWGHDFRDSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFDRPNLYLEVRRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVTGELRKLNLSCGTYHAGMSFSTRKDIHHRFVRDEIQCVIATIAFGMGINKADIRQVIHYGAPKDMESYYQEIGRAGRDGLQSSCHVLWAPADINLNRHLLTEIRNEKFRLYKLKMMAKMEKYLHSSRCRRQIILSHFEDKQVQKASLGIMGTEKCCDNCRSR

NLGLPTKEEEEDDENEANEGEEDDDKDFLWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHSVLEERRDNVAVMATGYGKSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFLGSAQSENVLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISEWGHDFRDSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFDRPNLYLEVRRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVTGELRKLNLSCGTYHAGMSFSTRKDIHHRFVRDEIQCVIATIAFGMGINKADIRQVIHYGAPKDMESYYQEIGRAGRDGLQSSCHVLWAPADINLNRHLLTEIRNEKFRLYKLKMMAKMEKYLHSSRCRRQIILSHFEDKQVQKASLGIMGTEKCCDNCRSR
Non polymer #2 A1CEW

InChI=1S/C33H32ClF3N8O6/c1-17-15-51-32(7-9-43(10-8-32)30(49)25-27(47)18(2)38-16-39-25)24-26(17)44(14-23(46)40-22-4-3-20(13-21(22)34)33(35,36)37)31-41-28(42-45(31)29(24)48)19-5-11-50-12-6-19/h3-5,13,16-17,47H,6-12,14-15H2,1-2H3,(H,40,46)/t17-/m0/s1

Cc1c(c(ncn1)C(=O)N2CCC3(CC2)C4=C([C@H](CO3)C)N(c5nc(nn5C4=O)C6=CCOCC6)CC(=O)Nc7ccc(cc7Cl)C(F)(F)F)O
Non polymer #3 CL

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

[Cl-]
Non polymer #4 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
Non polymer #5 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference