Structure of PDB 5hgq Chain D Binding Site BS02

Receptor Information
>5hgq Chain D (length=470) Species: 7209 (Loa loa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QEYFKLRTALINERRSKGINPYPHKFHVSISLADFIAKYNSLEKDVILND
IVQSVAGRVFSKRESKLIFYDLHGEGTRLQVLANARFHSGDEAFDNLHDR
IKRGDIIGVNGYPARSKSGELSIIPYEIIQLTPCLHMLPHTQETRYRMRY
LDLIMNPDVKNRFVTRSRMISFLRRYLDNLGFLEVETPMMNLIAGGATAK
PFITHHNDLDMDLYLRVAPELYLKMLVVGGIDRVYEIGRVFRNEGIDQTH
NPEFTSCEFYMAYADYEDLMKITEDMLARMVYYMHGTYKIQYHPNGIVEN
PVYEVDFTPPFRKVNIYDGLQEKLGIQFPPADTLDTDEANKFFDKLAVEN
APRTTARLLDKLIGEFLEPTFISPTFLTGHPQIMSPLAKWHRSIPGLTER
FELFVVTKEIVNAYTELNDPLTQRLRFDENYCTALEYGLPPTAGWGMGID
RLAMILTDSNNIKEVLFFPA
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 D Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		R255 H263 N264 F267 S269 E427 I428 G483 R486
Binding residue
(residue number reindexed from 1)		R242 H250 N251 F254 S256 E409 I410 G448 R451
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Nov 25 00:55:32 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 = 'D', 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='D', 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 = 'D'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000166,0003676,0004812,0004824,0005524,0005737,0006418,0006430', uniprot='', pdbid='5hgq', asym_id='D')
    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>