Structure of PDB 5umd Chain S Binding Site BS01

Receptor Information

>5umd Chain S (length=186) Species: 36329 (Plasmodium falciparum 3D7)

GIALKNVGRIKKHGRKHLVSKNPYLRLLVKLYNFLARRTNANFNKIIAKR
LIMPKRYRPPLSLSKLQYHMANHPNDIAVVVGSITDDKRLFSLKQLKVCA
LRFTETARKRIEDAGGECLTFDQLALKYPTGKKCVLLRGPTKARTAEKHF
GKAPGKPKSKARPYVRSKGRKFEKARGRRKSRAYKK

Ligand information

>5umd Chain A (length=3191)

gauguuaggagggcaaauccgccgaauuuaagcauauaauuaagcggaag
aaaagaaaauaacuaugauuccuuuaguaacggcgagugaacaaggacca
gcucaaacgguuaauccuucguuuggugcaaaccuuucgacggaauuguc
guugaauuauuccaugaaugccuuuaauuugagcaaagugagcaggaaug
cuuccccauagagggugaaaggcccauaguucuuuuuaauuuauucauug
gaauuuuucaugucgagucguguucuuugagauuggagcacuaauacgug
ugauacauuucacauaaagcuaaauauauguaggagaccgauagcaaaca
aguaccgugagggaaagaugaaauaguacucaggaaugagcaauuaaaua
guaccugaaaucguuaagauggaacggauuaagagagaaaacaaguaaag
aggggaauauucucuucuuuauuaaaagaaacaucagugauuaauuuaau
uucaauaaagcaauccccugaaauuguuuucacuuucuccccgcacuaau
guggggaaaacuggcuuuauuucuucaauuauuuuuuuugcugaggaauu
uuaaaauuauuugaauuuuucuucuuauaauuuaaguuguuucuauacag
uacuuucuuaacccacucgucuugaaacacggaccaaggagucuagcaaa
ugugcaaguguauaugauucuuuaaacauuuuacgcauaauuaauguaau
auguccauuguagauuugugccccacuuugcauacaauaccgguaagcaa
augcuuuauugaguacgagcauauuugguaggacccgagaggcuuugaac
uaagcgugaugagauugaagucagacgaaagucugauggaggaucgaguu
gauacugacgugcaaaucguucauuucaaucacguuuaggggcgaaagac
uaaucgaaaagccuauuagcugguuauuuucgaaagaucucucaggaucg
cuggaguugauuaauauaauuuuaccagguagagauaaugauuagaggac
agggccuugaccuauucucaaacucccaauagguaaaaagggcgaaauaa
cucaauuuguauuucacucauauuaaauaaaauaacuccaagugggccau
uuuugguaagcagaacuggcgaugagggaugcuccuaacgcuuggauaag
gugccuaaauauucgcucaugagaucccauaaaagguguugguucauaug
aacuagcccugaaaauggauggcgcuaaagcggauuaccgauaccaagcc
auaaaaagaagaaaaaauuuuuuuuuagaaucuuuuuaugaguagaaaau
cgugggguuuguguugaagcgaaauacgugaguuuucguggaacaucucc
cuagugcagaucuugguggaaguagcaacuauucaaaugagaacuuugaa
gacugaaguggagaaggguuucuugucaacugugauugaacaagaguuag
ccgcuccuaagggauagcugaaaaguguuuaaagggguccccgucucaaa
agggaaacagguugauauuccugugccaauaguauuaugaguuagauggu
aacauauauauaaaugaacuccuuuacauaggcuuuacacucggggugcg
uuuucuuugcacuuuaccuuuauaacaaaccuuggaaucaauuuacuugg
agaagagguucguugaacucaauucaaaaauuuguuuuguagcaauagua
auucguaauuauccgaagugguaaggacuauccuugaaaaaaggagggaa
cggcuuugugcuuugcuacucuuaauacuuguaugagcguaccaacaacc
gcaucaggucuccaagguuaacagccucugguuaaauagaaaaaaguagg
uaagggaagucggcaaaauagauccguaacuucgggaaaaggauuggcuc
ugaggacauuaauguuaacucagaacugaaacggacaaggggaauccgac
uguuuaauuaaaacauagcauugugaaaagccacaacugguauuaacaca
augugauuucugcccagugcuuugaaugucaacuugaugaaauucaauca
agcgcagguaaacggcgggaguaacuaugacucucuuaagguagccaaau
gccucgucaucuaauuagugacgcgcaugaauggauuaacgagauuccca
cugucccuacuugcuaucuagcgaaaccacagccaagggaacgggcuugg
caaaaucagcggggaaagaagacccuguugagcuuuacucuagucuggcu
uugugaaacgacuuaagaggugcuacuuuuaaaguuguuuuacuuaucca
uuuauagggaugaauuucccaauauggagacauagccagguggggaguuu
gacuggggcgguacaucuguuaaauauuaacgcagauguccaaagacaag
cucaaagagaacagaaaucucuuguagacuaaaaggggaaaagcuuguuu
gauuucuauuuucagaacaaguagaaaacgugaaagcguggccuaucgau
ccuuuauauuugcaaaaugacguaaauuacuuacuacugugcauauagag
gugucugaaaaguuaccacagggauaacuggcuuguggcugccaagcgcu
ccuagcgacguagcuuuuugauccuucgaugucggcucuuccuaucauug
ggacgcagaagucucaaagugucggauuguucacccgcuaauagggaacg
ugagcuggguuuagaccgucgugagacagguuaguuuuacccuacugaug
aauuuuauuauauauauacauauaguauugugacaguaauccaacuuggu
acgagaggauuaguugguucagacaauugguacagcaauugguugacaaa
ccaguguugcgaagcuaagucuguuggauaauggcugaacgccucuuaag
ccagaaaccaugcugauuaaacaauacuaucuuuuuuguuugcuaaugua
aaagagaaauuauauauguaccgguacauaaauaauccuaucaccuuuuu
cguggcuagcugugagcuaggcaauaguucuuuaacaacaaaaaagagca
caaacuguagacgacuuuuuugccucagggugcuguaaacaugaaaguaa
acuuuacgaucuguugaggcuuaucccuagugguaaagugu

.................<<<<<......<......>.......>>>>>..
..<.....<<....>>...<<<<<.....<<.....>>....>>>>>...
<<<...<<<.....<<<.<<<...<<<....>>>...>>>.>>>.....>
>>.<<<..<<<<<<<<<<<....<<<<...<<<<.....<<<<......>
>>>.((......<<<.....))>>>...>>>>...>>>>...>>>>>.>>
>>>>..>>>..........<<<<<<<........>>>>>>>......<<<
<<..[[((((>>>>>..>>>....>.........................
....<<....>>................<<<<....>>>>..........
.........................<<.<<<<<<<<<.......<<<<<<
<<<<<<<..>>>>>>>>>>>>>....<<<<<<<.<<<<<<..<<..<<<<
...<<<<<<<<.......<<<<......>>>>.<<..<<<<<<.......
.>>>>>>>>....>>>>>>>>......>>>>..>>..>>>>>>.......
....<<<<<<..<<<......>>>..>>>>>>.....>>>>>>>......
..>>>>>>>>>.>>..<<<<........>>>><<<<<<...<<<<.<<<<
<<<<<..<<<...<<<..........>>>....>>>...<<....>>...
.......<<<<<.<...<<.....>>..>...>>>>><<<<<<<<<<<..
..>>>.>>>>>.>>>...>>>>>>>>>.>>>>.<<.<..<<<<<<<....
.<<<<<<<<<..<<<....<<<<<<<....>>>>>>>.....>>>....<
<..<<.<<........>>>>.>>.....>>>>>>>>>...<<.......>
>......>>>>>>...>..>.>>..<<<<<<....<<<<<....>>>>><
<<<<<<<<........<<.<<<<<<<.....<<<....<<<....<<<.<
<<<..>>>>.>>>....>>>..>>.>.....>>>>>...<<<.<<<<<<.
<.......>>>>>>>.>>>......>>>>....>>>>>>>.>>..<<<<.
<<<<<.....>>>>>.>>>>....<<<......>>>...<<<<<<....<
<<(((.....<<<<<<.....<<..........<<<.<<<<<<<<<..>>
>>>>>>>>>>..........))).>>...>>>>>>.>>>....>>>>>><
<<<<<<<<...<<<<<<..>>>>>>......>>>>>>>>>....>>>>>>
..<<<<<..<<<......<<<<<<.<<....>>>>>>>>...>>>...>>
>>>........>>>>>><<.....<<.....<<<<<<.......>>>>>>
<<<<.....<<<<<.<<...<<<<<<...<.......>.>>>>>>....(
(<<<<<<...<<<<..<<<....>>>.......<<<<.>>>>.>>>>...
.>>...<<<<<........>>>>>))<...<<<<<<<.<<<<...<<<..
..>>>...........((<<<<<<...<<<<.<<<<<<<<<..<<<<<<<
...{{..>>>>>>....<<...<<<<.<<<<<<.....<<<.....>>>.
....>>>>>>.>>>>....<<<..<<<<..>>>>..>>>.>>.....<..
<.<....>.>..>>..>>>.>>>>>>.>>>>.........>>>>>>....
.<<<...<..>...>>>>>>>.>>>>>>>.....>>>>>..>>.....<<
......>>>>>>>.<<<<.....>>>>..>>>>...<<<<....<<<<<<
<<.<<.........<.....<<<<<....<....>.....>>>>><<.<<
<<<<<<<<<..>>>>>..>>>>>>.>>............<<<<<<<<<..
<<<.........>>>..<<<<<<<.....<<<<....>>>>......>>>
>>>>.<.<<..<<<..<<<<<<.<..<<<....<<<<......>>>>...
.>>>>>>>>..>>>>><<<<<<.......>>>>>>........<......
.....<<<<<.......>>>>>.....>.....>>.>..>>.>>>>>>>.
.>..>>.>>>>>>>>.>>>>>>....>>....<<<<<........>>>>>
....<<<<<..<<<.<<......<<<<.<<<<<<..<<<<<.<<<<<<<<
..<<<<<<<<<<<<<<<<<......>>>>>>.>>>>>>>>>>>...<<<<
<.....<<<<....))>>>>...>>>>>.....>>>>>>>>..>>>>>..
.<<<.....>>>..<<<<<<...........>>>>>>..<<...<<<<<<
<...<<<<<<.......>>>>>>.....<<...(((>>....>>>>>>>.
..<<<<<<<<<.......>>>>>>>>>.<<<....>>>.>>)))......
<<<<<<<...<<<.))))...<<<<.....>>>>....]]>>>.>>>>>>
>.........>>>>..>>>>>>.......<<.<...<<<<<<...<<...
....>>...>>>>>>....>.>.>.......<<<<<.<<<<<<..<<<<<
<<<<......>>>>>>>..>>.<<<.........>>>.....>>>>>..>
...>>>.>>....<<<<<<<....>>>.>>>>....>>..>>>.>>>>>.
.....<<<.<<<..>>>..>>><<<<<<<<<..<<<<.<.<<<<<<....
...........>>>>>>.><<<<<...<<<<...<<<<<<<<<<}}..>>
>>>..>>>>>...>>>>.>>>>>.<<<....<<<<<............>>
>>>....>>>.>>>>.....>>>>>>>>>.<<<<<<<<<.......<<<.
.....<<.......<<<<<<<<>>>>>>>>.....>>......<<<..<<
<<<<<<..>>>>>>>>..>>>.............>>>>>>>>>>>>.<<<
<.<<.............>>..<<<..<<<<.<<<....<<<.<<..<<<<
<.>>>>>..>>>>>...>>>....>>>>...>>>...>>>>

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5umd Mefloquine targets the Plasmodium falciparum 80S ribosome to inhibit protein synthesis.
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): G2 I3 K6 N7 V8 G9 R10 I11 K12 K13 H14 R16 H18 V20 S21 F35 R38 R39 A42 N43 K50 M54 P55 K56 R57 Y58 P61 S63 S65 K66 Q68 Y69 H70 N73 H74 T86 D87 D88 K89 R90 L91 F92 S93 R103 T105 E106 T107 T131 K134 C135 L137 R139 P141 T142 K143 A144 R145 T146 K149 F151 G152 K157 P158 K159 K161 A162 R163 P164 Y165 V166 R167 K169 R171 K172 F173 E174 K175 R177 R179 R180 K181 S182 R183 A184 Y185 K186 K187
• Binding residue (residue number reindexed from 1): G1 I2 K5 N6 V7 G8 R9 I10 K11 K12 H13 R15 H17 V19 S20 F34 R37 R38 A41 N42 K49 M53 P54 K55 R56 Y57 P60 S62 S64 K65 Q67 Y68 H69 N72 H73 T85 D86 D87 K88 R89 L90 F91 S92 R102 T104 E105 T106 T130 K133 C134 L136 R138 P140 T141 K142 A143 R144 T145 K148 F150 G151 K156 P157 K158 K160 A161 R162 P163 Y164 V165 R166 K168 R170 K171 F172 E173 K174 R176 R178 R179 K180 S181 R182 A183 Y184 K185 K186

Gene Ontology

Molecular Function

• GO:0003723 RNA binding
• GO:0003735 structural constituent of ribosome

Biological Process

• GO:0006412 translation

Cellular Component

• GO:0005737 cytoplasm
• GO:0005840 ribosome
• GO:0022625 cytosolic large ribosomal subunit
• GO:0043232 intracellular non-membrane-bounded organelle
• GO:1990904 ribonucleoprotein complex

External links

• PDB: RCSB:5umd, PDBe:5umd, PDBj:5umd
• PDBsum: 5umd
• PubMed: 28288098
• UniProt: C0H5G3