Structure of PDB 5hgq Chain C Binding Site BS02

Receptor Information
>5hgq Chain C (length=473) Species: 7209 (Loa loa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYFKLRTALINERRSKGINPYPHKFHVSISLADFIAKYNSLEKDVILNDI
VQSVAGRVFSKRESGGKLIFYDLHGEGTRLQVLANARFHSGDEAFDNLHD
RIKRGDIIGVNGYPARSKSGELSIIPYEIIQLTPCLHMLPHTHFGLNQET
RYRMRYLDLIMNPDVKNRFVTRSRMISFLRRYLDNLGFLEVETPMMNLIA
GGATAKPFITHHNDLDMDLYLRVAPELYLKMLVVGGIDRVYEIGRVFRNE
GIDQTHNPEFTSCEFYMAYADYEDLMKITEDMLARMVYYMHGTYKIQYHP
NGIVENPVYEVDFTPPFRKVNIYDGLQEKLGIQFPPADTDTDEANKFFDK
LAPRTTARLLDKLIGEFLEPTFISPTFLTGHPQIMSPLAKWHRSIPGLTE
RFELFVVTKEIVNAYTELNDPLTQRLRFDEQENYCTALEYGLPPTAGWGM
GIDRLAMILTDSNNIKEVLFFPA
Ligand information
Ligand IDKRS
InChIInChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1
InChIKeyWOMKDMUZNBFXKG-ZWKOPEQDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC1CCCC(O1)CC2Cc3cc(cc(c3C(=O)O2)O)O
ACDLabs 12.01O=C3OC(CC1OC(CCC1)C)Cc2cc(O)cc(O)c23
OpenEye OEToolkits 1.9.2C[C@H]1CCC[C@@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O
CACTVS 3.385C[C@H]1CCC[C@H](C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)O1
CACTVS 3.385C[CH]1CCC[CH](C[CH]2Cc3cc(O)cc(O)c3C(=O)O2)O1
FormulaC16 H20 O5
Namecladosporin;
(3R)-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
ChEMBLCHEMBL448685
DrugBank
ZINC
PDB chain5hgq Chain C Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5hgq Protein Translation Enzyme lysyl-tRNA Synthetase Presents a New Target for Drug Development against Causative Agents of Loiasis and Schistosomiasis
Resolution3.283 Å
Binding residue
(original residue number in PDB)		E257 H263 N264 F267 I428 R486
Binding residue
(residue number reindexed from 1)		E250 H256 N257 F260 I411 R454
Annotation score1
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Nov 25 00:23:20 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 = '5hgq', asym_id = 'C', bs = 'BS02', title = 'Protein Translation Enzyme lysyl-tRNA Synthetase... Causative Agents of Loiasis and Schistosomiasis '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5hgq', asym_id='C', bs='BS02', title='Protein Translation Enzyme lysyl-tRNA Synthetase... Causative Agents of Loiasis and Schistosomiasis ')
   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 = '0000166,0003676,0004812,0004824,0005524,0005737,0006418,0006430', uniprot = '', pdbid = '5hgq', asym_id = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000166,0003676,0004812,0004824,0005524,0005737,0006418,0006430', uniprot='', pdbid='5hgq', asym_id='C')
    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>