2024-05-18_00000040
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ligand
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8JNV
PfDXR - Mn2+ - MAMK89 ternary complex;
X-ray diffraction 1.60Å
Protein #1
411 residues (100% resolved)
Raw Sequence ...
KPINVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIKTNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYPTVLNASNEIANNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKDKATDIYNKHN
Canonical Sequence ...
KPINVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIKTNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYPTVLNASNEIANNLFLNNKIKYFDISSIISQVLESFNSQKVSENSEDLMKQILQIHSWAKDKATDIYNKHN
Non polymer #2
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #3
MN
InChI=1S/Mn/q+2
InChI=1S/Mn/q+2
SMILES: [Mn+2]
[Mn+2]
Non polymer #4
UW0
InChI=1S/C19H24NO5P/c21-19(20(22)15-7-10-16-8-3-1-4-9-16)14-13-18(26(23,24)25)17-11-5-2-6-12-17/h1-6,8-9,11-12,18,22H,7,10,13-15H2,(H2,23,24,25)/t18-/m0/s1
InChI=1S/C19H24NO5P/c21-19(20(22)15-7-10-16-8-3-1-4-9-16)14-13-18(26(23,24)25)17-11-5-2-6-12-17/h1-6,8-9,11-12,18,22H,7,10,13-15H2,(H2,23,24,25)/t18-/m0/s1
SMILES: c1ccc(cc1)CCCN(C(=O)CC[C@@H](c2ccccc2)P(=O)(O)O)O
c1ccc(cc1)CCCN(C(=O)CC[C@@H](c2ccccc2)P(=O)(O)O)O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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