Structure of PDB 8hgi Chain A Binding Site BS01

Receptor Information
>8hgi Chain A (length=220) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASVIKPEMKIKLRMEGAVNGHKFVIEGEGIGKPYEGTQTLDLTVKEGAPL
PFSYDILTPAFNRAFTKYPKDIPDYFKQAFPEGYSWERSMTYEDQGICIA
TSDITMEGDCFFYKIRFDGTNFPPNGPVMQKKTLKWEPSTEKMYVRDGVL
KGDVNMALLLEGGGHYRCDFKTTYKAKKDVRLPDAHKVDHRIEILSHDKD
YNKVRLYEHAEARYSMLPSQ
Ligand information
Ligand IDCRQ
InChIInChI=1S/C16H16N4O5/c17-11(5-6-13(18)22)15-19-12(16(25)20(15)8-14(23)24)7-9-1-3-10(21)4-2-9/h1-4,7,17,21H,5-6,8H2,(H2,18,22)(H,23,24)/b12-7-,17-11+
InChIKeyAKDAWRYTXGWULZ-KAOAWJDNSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NC(=O)CCC(=N)C1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O
OpenEye OEToolkits 1.7.6c1cc(ccc1/C=C\2/C(=O)N(C(=N2)C(=N)CCC(=O)N)CC(=O)O)O
CACTVS 3.370NC(=O)CCC(=N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O
OpenEye OEToolkits 1.7.6c1cc(ccc1C=C2C(=O)N(C(=N2)C(=N)CCC(=O)N)CC(=O)O)O
ACDLabs 12.01O=C1C(\N=C(C(=[N@H])CCC(=O)N)N1CC(=O)O)=C\c2ccc(O)cc2
FormulaC16 H16 N4 O5
Name[2-(3-CARBAMOYL-1-IMINO-PROPYL)-4-(4-HYDROXY-BENZYLIDENE)-5-OXO-4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETIC ACID;
CHROMOPHORE (GLN-TYR-GLY)
ChEMBL
DrugBank
ZINC
PDB chain8hgi Chain A Residue 301 [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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PDB8hgi Selection, identification and crystal structure of shark-derived single-domain antibodies against a green fluorescent protein.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		Q42 L44 P63 A64 F65 N69 R70 W93 R95 S146 M163 H197 I199 L213 Y214 E215
Binding residue
(residue number reindexed from 1)		Q38 L40 P59 A60 F61 N62 R63 W86 R88 S139 M156 H190 I192 L206 Y207 E208
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Dec 3 08:27:40 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 = '8hgi', asym_id = 'A', bs = 'BS01', title = 'Selection, identification and crystal structure ...n antibodies against a green fluorescent protein.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8hgi', asym_id='A', bs='BS01', title='Selection, identification and crystal structure ...n antibodies against a green fluorescent protein.')
   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 = '0006091,0008218', uniprot = '', pdbid = '8hgi', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0006091,0008218', uniprot='', pdbid='8hgi', 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>