2026-05-30_00000189
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ligand
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9S89
N-terminal 40kDa fragment of human PMS2 with covalent ligand NP1867;
X-ray diffraction 2.00Å
Protein #1
367 residues (78% resolved)
Raw Sequence ...
GSMERAESSSTEPAKAIKPIDRKSVHQICSGQVVLSLSTAVKELVENSLDAGATNIDLKLKDYGVDLIEVSDNGCGVEEENFEGLTLKHHTSKIQEFADLTQVETFGFRGEALSSLCALSDVTISTCHASAKVGTRLMFDHNGKIIQKTPYPRPRGTTVSVQQLFSTLPVRHKEFQRNIKKEYAKMVQVLHAYCIISAGIRVSCTNQLGQGKRQPVVCTGGSPSIKENIGSVFGQKQLQSLIPFVQLPPSDSVCEEYGLSCSDALHNLFYISGFISQCTHGVGRSSTDRQFFFINRRPCDPAKVCRLVNEVYHMYNRHQYPFVVLNISVDSECVDINVTPDKRQILLQEEKLLLAVLKTSLIGMFDS
Canonical Sequence ...
GSMERAESSSTEPAKAIKPIDRKSVHQICSGQVVLSLSTAVKELVENSLDAGATNIDLKLKDYGVDLIEVSDNGCGVEEENFEGLTLKHHTSKIQEFADLTQVETFGFRGEALSSLCALSDVTISTCHASAKVGTRLMFDHNGKIIQKTPYPRPRGTTVSVQQLFSTLPVRHKEFQRNIKKEYAKMVQVLHAYCIISAGIRVSCTNQLGQGKRQPVVCTGGSPSIKENIGSVFGQKQLQSLIPFVQLPPSDSVCEEYGLSCSDALHNLFYISGFISQCTHGVGRSSTDRQFFFINRRPCDPAKVCRLVNEVYHMYNRHQYPFVVLNISVDSECVDINVTPDKRQILLQEEKLLLAVLKTSLIGMFDS
Non polymer #2
A1JMJ
InChI=1S/C29H39N3O5/c1-19-24(33)15-25(34)27(28(19)37-18-20-9-5-4-6-10-20)29(36)32-16-21-11-7-12-23(22(21)17-32)30-26(35)13-8-14-31(2)3/h7,11-12,15,20,33-34H,4-6,8-10,13-14,16-18H2,1-3H3,(H,30,35)
InChI=1S/C29H39N3O5/c1-19-24(33)15-25(34)27(28(19)37-18-20-9-5-4-6-10-20)29(36)32-16-21-11-7-12-23(22(21)17-32)30-26(35)13-8-14-31(2)3/h7,11-12,15,20,33-34H,4-6,8-10,13-14,16-18H2,1-3H3,(H,30,35)
SMILES: Cc1c(cc(c(c1OCC2CCCCC2)C(=O)N3Cc4cccc(c4C3)NC(=O)CCCN(C)C)O)O
Cc1c(cc(c(c1OCC2CCCCC2)C(=O)N3Cc4cccc(c4C3)NC(=O)CCCN(C)C)O)O
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #4
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
monomer
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Model
Reference
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