Structure of PDB 3cxc Chain L Binding Site BS01

Receptor Information
>3cxc Chain L (length=194) Species: 2238 (Haloarcula marismortui) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ARSAYSYIREAWKRPKEGQIAELMWHRMQEWRNEPAVVRIERPTRLDRAR
SLGYKAKQGIIVVRVAIRKGSSRRTRFNKGRRSKRMMVNRITRKKNIQRI
AEERANRKFPNLRVLNSYSVGEDGRHKWHEVILIDPDHPAIKSDDQLSWI
SRTRHRLRTFRGLTSAGRRCRGLRGQGKGSEKVRPSLRVNGAKA
Ligand information
>3cxc Chain 0 (length=2754) [Search RNA sequence] [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
uaugccagcugguggauugcucggcucaggcgcugaugaaggacgugcca
agcugcgauaagccauggggagccgcacggaggcgaagaaccauggauuu
ccgaaugagaaucucuaacaauugcuucgcgcaaugaggaaccccgagaa
cugaaacaucucaguaucgggaggaacagaaaacgcaaugugaugucguu
aguaaccgcgagugaacgcgauacagcccaaaccgaagcccucacgggca
auguggugucagggcuaccucucaucagccgaccgucucgacgaagucuc
uuggaacagagcgugauacagggugacaaccccguacucgagaccaguac
gacgugcgguagugccagaguagcggggguuggauaucccucgcgaauaa
cgcaggcaucgacugcgaaggcuaaacacaaccugagaccgauagugaac
aaguagugugaacgaacgcugcaaaguacccucagaagggaggcgaaaua
gagcaugaaaucaguuggcgaucgagcgacagggcauacaaggucccucg
acgaaugaccgacgcgcgagcguccaguaagacucacgggaagccgaugu
ucugucguacguuuugaaaaacgagccagggagugugucugcauggcaag
ucuaaccggaguauccggggaggcacagggaaaccgacauggccgcaggg
cuugcccgagggccgccgucuucaagggcggggagccauguggacacgac
ccgaauccggacgaucuacgcauggacaagaugaagcgugccgaaaggca
cguggaagucuguuagaguugguguccuacaauacccucucgugaucuau
guguaggggugaaaggcccaucgaguccggcaacagcugguuccaaucga
aacaugucgaagcaugaccuccgccgagguagucugugagguagagcgac
cgauugguccugucaaacuccaaacuuacagacgccguuugacgcgggga
uuccggugcgcgggguaagccuguguaccaggaggggaacaacccagaga
uagguuaagguccccaaguguggauuaaguguaauccucugaaggugguc
ucgagcccuagacagccgggaggugagcuuagaagcagcuacccucuaag
aaaagcguaacagcuuaccggccgagguuugaggcgcccaaaaugaucgg
gacucaaauccaccaccgagaccuguccguaccacucauacugguaaucg
aguagauuggcgcucuaauuggauggaaguaggggugaaaacuccuaugg
accgauuagugacgaaaauccuggccauaguagcagcgauagucggguga
gaaccccgacggccuaauggauaaggguuccucagcacugcugaucagcu
gaggguuagccgguccuaagucauaccgcaacucgacuaugacgaaaugg
gaaacggguuaauauucccgugccacuaugcagugaaaguugacgcccug
gggucgaucacgcugggcaucgcccagucgaaccguccaacuccguggaa
gccguaauggcaggaagcggacgaacggcggcauagggaaacgugauuca
accuggggcccaugaaaagacgagcauaguguccguaccgagaaccgaca
cagguguccauggcggcgaaagccaaggccugucgggagcaaccaacguu
agggaauucggcaaguuagucccguaccuucggaagaagggaugccugcu
ccggaacggagcaggucgcagugacucggaagcucggacugucuaguaac
aacauaggugaccgcaaauccgcaaggacucguacggucacugaauccug
cccagugcagguaucugaacaccucguacaagaggacgaaggaccuguca
acggcgggggucuuaagguagcguaguaccuugccgcaucaguagcggcu
ugcaugaauggauuaaccagagcuucacugucccaacguugggcccggug
aacuguacauuccagugcggagucuggagacacccagggggaagcgaaga
cccuauggagcuuuacugcaggcugucgcugaggacucucacuccgggag
gaggacaccgauagccgggcaguuugacuggggcgguacgcgcucgaaaa
gauaucgagcgcgcccuauggcuaucucagccggggacccggcgaagagu
gcaagagcaaaagauagcuugacaguguucuucccaacgaggaacgcuga
cgcgaaagcguggucuagcgaaccaauuagccugcuugaugcgggcaauu
gaugacagaaaagcuacccuagggauaacagagucgucacucgcaagagc
acauaucgaccgaguggcuugcuaccucgaugucgguucccuccauccug
cccgugcagaagcgggcaagggugagguuguucgccuauuaaaggagguc
gugagcuggguuuagaccgucgugagacaggucggcugcuaucuacuggg
uguguaggugucugacaagaacgaccguauaguacgagaggaacuacggu
ugguggccacugguguaccgguuguucgagagagcacgugccggguagcc
acgccacacgggguaagagcugaacgcaucuaagcucgaaacccacuugg
aaaagagacaccgccgaggucccgcguacaagacgcggucgauagacucg
gggugugcgcgucgagguaacgagacguuaagcccacgagcacuaacaga
ccaa
..<<<<<<<<<<<.....((..((<<<<<<.[<<......<<<<<<.((.
.((.>>>.....<<<<<<...<<<))..)).>>>......>>>>>>...>
>>....<<<...>>>.....<<<<<.....>>>>>.>>...<<<<<<...
..<......>......>>>>>.>.........<<.....>>...<<<<<.
....<<.....>>....>>>>>...<<<...<<<...<<<<....>>>>.
....>>>....<<<<<<<<......<..<.....<<<<<<<......<<<
<......>>>>.((......<<<.....))>>>....>>>>>>>......
>..>...>>>>>>.>>......<<<<<<<........>>>>>>>......
<<<<<.<<<<<<>>>>>..>>>......]..>>>>>>.))..........
.....<<....>>....))..........<<<.....>>>..........
.........>>>>>>>>>>>.......<<<<<<<<<<....<.<<<<..<
<.........<<<<<....>>>>>.........>>..>>>>...>.>>>>
>>>>>>...<<<........>>>.<<<<<<....<<<<<<<<<<<<<..<
<<...<<<<<...>>>>>...>>>...<<....>>....<<<<<...<<<
<..>>>>...>>>>><<<<<<....>>>>>>...>>>>>>>>>>>>>..<
<.<...<<<<<<.....<<<<<<<<<..<<<....<<<<<<<....>>>>
>>>.....>>>....<<<..<<.<<........>>>>.>>>....>>>>>
>>>>...<<<.....>>>......>>>>>>......>.>>..<<<<<<..
..<<<<<....>>>>><.<<<<<<...<<<.<<<<<<<<<...<<<....
.<<..<<.>>..>>...>>.>...>>>>>>>>>>>>.......>>>>>>.
.>..<<<<<<.<<<.....>>>.>>>>>>....<<<......>>>...<<
<<<<<...<<<(((.....<<<<<<.....<<...........<<<.<<<
<<<<<<<.......<<<<<.<<...<<<<.......>>>>...>>.....
..<<<<......>>>>.>>>>>...>>>>>>>>>>>>>..........))
)>>....>>>>>>.>>>...>>>>>>><<<<<<<.......>>>>>..>>
....>>>>>><...<<<<<<<<......<<<<<<<<....>>>>>>>>..
.>>>>>>>>....>.....>>>>>><<.....<........<<<<<<...
....>>>>>><<<<....<<<<..<<...<<<<<<...<<.....>>.>>
>>>>....((<<<<<<...<<<<<<.<<.....>>..>>>>>>.....>>
>..<<<<<........>>>>>))<<<<<<<<.......<<<...<<<<<<
<<...<<<<<<<<<<<<<.[[>>>>>>><...<<<<<....<<<<<....
<<<<...>>>>.....>>>>>.....>>>>>....>......>>>>>>..
.>>>>>>>>.........>>>..>>>>>>>>.>>>..>>.....<<....
..>>.>>>>..<<<.......>>>..>>>>...<<<<.....<<<<<<<<
.<<.........<.....<<<<<.....<..>......>>>>><<<<<<<
<<.....>>>>>>>>>............<<<<<<<<<..<<<........
.>>>..<<<<<<<.....<<<....>>>.......>>>>>>>.<<<<<.<
<<..<<<<<<<..<<<.....<<<<......>>>>.....>>>>>>>>..
>>>>><<...>>........<...........<<<<<.......>>>>>.
....>....>>>>>..>>.>>>>>>>..>..>>.>>>>>>>>.>>>>.>.
...>>.((.<<<<<<......))>>>>>>.<<<<<<<..(((.[[.....
.<<<<.[[<<<<..<<<<<.<<<<<<<<..<<....>>...<<<<....>
>>>.....>>>>>>>>..>>>>>...<<<.....>>>..<<<<<<.....
......>>>>>>..<<...<<<<<<<...<<<<<<..>>>>>>.....<<
...(((>>....>>>>>>>...<<<<<<<<<.........>>>>>>>>>.
<<<....>>>.>>))).......<<<<<.<<<<<.>>>>>>>>>>>>>>>
>..........>>>>..]]>>>>.......<<<<.<.<<<<<<...<<..
.....>>...>>>>>>...>>>>.>.......<<<<<..<<<<<..<<<<
<<<<<......>>>>>>>..>>..<<<<.....>>>>......>>>>>..
....>>>.>>....<<<<<<<....>>>.>>>>....]]..))).>>>>>
>>....<<<<<<...<<<<..<<<<<<<<...............>>>>>>
>><<<<<...<<<<...<<<<<<<<<<]]..>>>>>...>>>>>...>>>
>.>>>>>..<<<.<..<<<<<...........>>>>>...>>>>.>>>>.
......>>>>>>.....<<<<<<<<<.......>>>>>....<<<.<<<<
<<<<....<<<<<..........>>>>>...>>>>.>>>>..>>>...>>
>>..
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3cxc Design at the atomic level: design of biaryloxazolidinones as potent orally active antibiotics.
Resolution3.0 Å
Binding residue
(original residue number in PDB)
A1 S3 Y5 R9 K13 K16 W25 Q29 R32 P35 A36 R39 R42 R45 L46 R48 R50 S51 L52 K55 A56 Q58 R68 K69 G70 S71 R73 R74 T75 R76 F77 N78 K79 G80 R81 R82 S83 K84 R85 M86 V88 N89 R90 T92 R93 K94 K95 N96 I97 R99 I100 R104 R107 K108 F109 P110 N111 N116 G124 R125 K127 D135 D137 H138 P139 A140 Q146 W149 T153 R154 R156 L157 F160 R161 L163 S165 R168 C170 R171 G172 R174 Q176 G177 K178 G179 E181 K182 R184 P185 S186 L187 R188 G191 A192 K193 A194
Binding residue
(residue number reindexed from 1)
A1 S3 Y5 R9 K13 K16 W25 Q29 R32 P35 A36 R39 R42 R45 L46 R48 R50 S51 L52 K55 A56 Q58 R68 K69 G70 S71 R73 R74 T75 R76 F77 N78 K79 G80 R81 R82 S83 K84 R85 M86 V88 N89 R90 T92 R93 K94 K95 N96 I97 R99 I100 R104 R107 K108 F109 P110 N111 N116 G124 R125 K127 D135 D137 H138 P139 A140 Q146 W149 T153 R154 R156 L157 F160 R161 L163 S165 R168 C170 R171 G172 R174 Q176 G177 K178 G179 E181 K182 R184 P185 S186 L187 R188 G191 A192 K193 A194
Binding affinityPDBbind-CN: IC50=4.6uM
Gene Ontology
--> -->
 
 
UnboundLocalError
Python 3.6.8: /usr/bin/python3
Thu Nov 28 00:04:14 2024

A problem occurred in a Python script. Here is the sequence of function calls leading up to the error, in the order they occurred.

 /var/www/html/BioLiP/pdb.cgi in <module>()
   1435     title=pdb2title(pdbid)
   1436     if bs.startswith("BS"):
=> 1437         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)
   1438     else:
   1439         if lig3:
pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '3cxc', asym_id = 'L', bs = 'BS01', title = 'Design at the atomic level: design of biaryloxazolidinones as potent orally active antibiotics.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='3cxc', asym_id='L', bs='BS01', title='Design at the atomic level: design of biaryloxazolidinones as potent orally active antibiotics.')
   1295         display_ec(ec,csaOrig,csaRenu)
   1296     if go:
=> 1297         display_go(go,uniprot,pdbid,asym_id)
   1298     return pubmed,uniprot
   1299 
global display_go = <function display_go>, go = '0003735,0005840,0006412', uniprot = '', pdbid = '3cxc', asym_id = 'L'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003735,0005840,0006412', uniprot='', pdbid='3cxc', asym_id='L')
    480         '''.replace("$namespace_link",namespace_link
    481           ).replace("$namespace",namespace
=>  482           ).replace("$uniprot",u
    483         ))
    484         for l,(term,name) in enumerate(go2aspect[Aspect]):
u undefined

UnboundLocalError: local variable 'u' referenced before assignment
      args = ("local variable 'u' referenced before assignment",)
      with_traceback = <built-in method with_traceback of UnboundLocalError object>