Structure of PDB 5hgq Chain A Binding Site BS02

Receptor Information

>5hgq Chain A (length=465) Species: 7209 (Loa loa)

EYFKLRTALINERRSKGINPYPHKFHVSISLADFIAKYNSLEKDVILNDI
VQSVAGRVFSKREKLIFYDLHGEGTRLQVLANARFHSGDEAFDNLHDRIK
RGDIIGVNGYPARSKSGELSIIPYEIIQLTPCLHMLPHETRYRMRYLDLI
MNPDVKNRFVTRSRMISFLRRYLDNLGFLEVETPMMNLIAGGATAKPFIT
HHNDLDMDLYLRVAPELYLKMLVVGGIDRVYEIGRVFRNEGIDQTHNPEF
TSCEFYMAYADYEDLMKITEDMLARMVYYMHGTYKIQYHPNGIVENPVYE
VDFTPPFRKVNIYDGLQEKLGIQFPPADTLDTDEANKFFDKLAVEAPRTT
ARLLDKLIGEFLEPTFISPTFLTGHPQIMSPLAKWHRSIPGLTERFELFV
VTKEIVNAYTELNDPLTQRLRFDENYCTALEYGLPPTAGWGMGIDRLAMI
LTDSNNIKEVLFFPA

Ligand information

• Ligand ID: KRS
• InChI: InChI=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
• InChIKey: WOMKDMUZNBFXKG-ZWKOPEQDSA-N
• SMILES:
  OpenEye OEToolkits 1.9.2: CC1CCCC(O1)CC2Cc3cc(cc(c3C(=O)O2)O)O
  ACDLabs 12.01: O=C3OC(CC1OC(CCC1)C)Cc2cc(O)cc(O)c23
  OpenEye OEToolkits 1.9.2: C[C@H]1CCC[C@@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O
  CACTVS 3.385: C[C@H]1CCC[C@H](C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)O1
  CACTVS 3.385: C[CH]1CCC[CH](C[CH]2Cc3cc(O)cc(O)c3C(=O)O2)O1
• Formula: C16 H20 O5
• Name: cladosporin;
  (3R)-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
• ChEMBL: CHEMBL448685
• PDB chain: 5hgq Chain A Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5hgq Protein Translation Enzyme lysyl-tRNA Synthetase Presents a New Target for Drug Development against Causative Agents of Loiasis and Schistosomiasis
• Resolution: 3.283 Å
• Binding residue (original residue number in PDB): E257 H263 N264 F267 E427 I428 V429 G483 R486
• Binding residue (residue number reindexed from 1): E240 H246 N247 F250 E404 I405 V406 G443 R446
• Annotation score: 1
• Binding affinity: PDBbind-CN: -logKd/Ki=7.34,Kd=45.2nM

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sun Nov 24 20:43:09 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 = 'A', 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='A', 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 = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000166,0003676,0004812,0004824,0005524,0005737,0006418,0006430', uniprot='', pdbid='5hgq', asym_id='A')

    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>