2026-03-14_00000296
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medium
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9QDW
Crystal structure of human PLA2G5 in complex with a SMOL inhibitor (compound 1);
X-ray diffraction 2.49Å
Protein #1
120 residues (99% resolved)
Raw Sequence ...
GSGLLDLKSMIEKVTGKNALTNYGFYGCYCGWGGRGTPKDGTDWCCWAHDHCYGRLEEKGCNIRTQSYKYRFAWGVVTCEPGPFCHVNLCACDRKLVYCLKRNLRSYNPQYQYFPNILCS
Canonical Sequence ...
GSGLLDLKSMIEKVTGKNALTNYGFYGCYCGWGGRGTPKDGTDWCCWAHDHCYGRLEEKGCNIRTQSYKYRFAWGVVTCEPGPFCHVNLCACDRKLVYCLKRNLRSYNPQYQYFPNILCS
Non polymer #2
A1I5M
InChI=1S/C13H15F3N2O2/c14-13(15,16)9-1-3-10(4-2-9)20-11-5-7-18(8-6-11)12(17)19/h1-4,11H,5-8H2,(H2,17,19)
InChI=1S/C13H15F3N2O2/c14-13(15,16)9-1-3-10(4-2-9)20-11-5-7-18(8-6-11)12(17)19/h1-4,11H,5-8H2,(H2,17,19)
SMILES: c1cc(ccc1C(F)(F)F)OC2CCN(CC2)C(=O)N
c1cc(ccc1C(F)(F)F)OC2CCN(CC2)C(=O)N
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #4
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Biounit #1
homo-dimer
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Model
Reference
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