2026-05-02_00000224
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ligand
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9V5Y
PfDXR - Mn2+ - SHOK314 ternary complex;
X-ray diffraction 1.57Å
Protein #1
488 residues (84% resolved)
Raw Sequence ...
MKKYIYIYFFFITITINDLVINNTSKCVSIERRKNNAYINYGIGYNGPDNKITKSRRCKRIKLCKKDLIDIGAIKKPINVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIKTNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYPTVLNASNEIANNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKDKATDIYNKHNSS
Canonical Sequence ...
MKKYIYIYFFFITITINDLVINNTSKCVSIERRKNNAYINYGIGYNGPDNKITKSRRCKRIKLCKKDLIDIGAIKKPINVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIKTNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYPTVLNASNEIANNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKDKATDIYNKHNSS
Non polymer #2
A1L92
InChI=1S/C22H25N2O7P/c25-20(13-12-19(32(29,30)31)16-8-2-1-3-9-16)24(28)15-7-6-14-23-21(26)17-10-4-5-11-18(17)22(23)27/h1-5,8-11,19,28H,6-7,12-15H2,(H2,29,30,31)/t19-/m0/s1
InChI=1S/C22H25N2O7P/c25-20(13-12-19(32(29,30)31)16-8-2-1-3-9-16)24(28)15-7-6-14-23-21(26)17-10-4-5-11-18(17)22(23)27/h1-5,8-11,19,28H,6-7,12-15H2,(H2,29,30,31)/t19-/m0/s1
SMILES: c1ccc(cc1)[C@H](CCC(=O)N(CCCCN2C(=O)c3ccccc3C2=O)O)P(=O)(O)O
c1ccc(cc1)[C@H](CCC(=O)N(CCCCN2C(=O)c3ccccc3C2=O)O)P(=O)(O)O
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #4
MN
InChI=1S/Mn/q+2
InChI=1S/Mn/q+2
SMILES: [Mn+2]
[Mn+2]
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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