2026-05-02_00000221
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ligand
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9V5V
PfDXR - Mn2+ - SHOK166 ternary complex;
X-ray diffraction 1.59Å
Protein #1
488 residues (84% resolved)
Raw Sequence ...
MKKYIYIYFFFITITINDLVINNTSKCVSIERRKNNAYINYGIGYNGPDNKITKSRRCKRIKLCKKDLIDIGAIKKPINVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIKTNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYPTVLNASNEIANNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKDKATDIYNKHNSS
Canonical Sequence ...
MKKYIYIYFFFITITINDLVINNTSKCVSIERRKNNAYINYGIGYNGPDNKITKSRRCKRIKLCKKDLIDIGAIKKPINVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIKTNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYPTVLNASNEIANNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKDKATDIYNKHNSS
Non polymer #2
A1L90
InChI=1S/C20H21N2O7P/c23-18(11-10-17(30(27,28)29)14-6-2-1-3-7-14)22(26)13-12-21-19(24)15-8-4-5-9-16(15)20(21)25/h1-9,17,26H,10-13H2,(H2,27,28,29)/t17-/m0/s1
InChI=1S/C20H21N2O7P/c23-18(11-10-17(30(27,28)29)14-6-2-1-3-7-14)22(26)13-12-21-19(24)15-8-4-5-9-16(15)20(21)25/h1-9,17,26H,10-13H2,(H2,27,28,29)/t17-/m0/s1
SMILES: c1ccc(cc1)[C@H](CCC(=O)N(CCN2C(=O)c3ccccc3C2=O)O)P(=O)(O)O
c1ccc(cc1)[C@H](CCC(=O)N(CCN2C(=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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