Structure of PDB 7at3 Chain B Binding Site BS01

Receptor Information
>7at3 Chain B (length=295) Species: 77133 (uncultured bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASEALTMIVNLLRSQRPLQEPTVEQMRAGLEAMAQMSPLPADVELTTVDA
GGVPGAWVRVPESDPDRVVLYLHGGGYVIGSIRTHRDLAQRIARAARCRV
LLIDYRLAPEHPHPAAVEDSTRAYRWLLETGSDPKRMAIAGDSAGGGLTV
ATLVALRDAGVPLPAAAVCLSPWVDLEGIGESMTTKAAVDPMVQREPLLR
MASMYLAGQDPRTPLAAPLYADLRGLPPLLIQVGTAETLLDDSVRLAERA
RAAGVQVTLEPWEDMIHVWQAFAAMLPEGQQAIERIGEFLRQHWQ
Ligand information
Ligand IDNPX
InChIInChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyCMWTZPSULFXXJA-SECBINFHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2CC(c1ccc2cc(ccc2c1)OC)C(=O)O
OpenEye OEToolkits 1.7.2C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O
CACTVS 3.370COc1ccc2cc(ccc2c1)[C@@H](C)C(O)=O
ACDLabs 12.01O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C
CACTVS 3.370COc1ccc2cc(ccc2c1)[CH](C)C(O)=O
FormulaC14 H14 O3
Name(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid;
(R)-Naproxen
ChEMBLCHEMBL1618254
DrugBank
ZINCZINC000000113439
PDB chain7at3 Chain B Residue 904 [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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PDB7at3 Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		L31 G75 T85 H86 D143 M193 A272 F273
Binding residue
(residue number reindexed from 1)		L30 G74 T84 H85 D142 M192 A271 F272
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 09:17:03 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 = '7at3', asym_id = 'B', bs = 'BS01', title = 'Biochemical and Structural Characterization of a...11 provide catalytic insights for the HSL family.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7at3', asym_id='B', bs='BS01', title='Biochemical and Structural Characterization of a...11 provide catalytic insights for the HSL family.')
   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 = '0016787', uniprot = '', pdbid = '7at3', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016787', uniprot='', pdbid='7at3', asym_id='B')
    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>