Structure of PDB 5d2t Chain A Binding Site BS01

Receptor Information
>5d2t Chain A (length=251) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKRIIAALIVKDGRVVKGSNFENLRDSGDPVELGKFYSEIGIDELSFWDI
TASVEKRKTMLELVEKVAEQIDIPFTVGGGIHDFETASELILRGADKVEI
NTAAVENPSLITQIAQTFGSQAVVVYIAAKRVDGEFMVFTYSGKKNTGIL
LRDWVVEVEKRGAGEIVLGSIDRLGTKSGYDTEMIRFVRPLTTLPIIAHG
GAGKMEHFLEAFLAGADAAKANSVLHFREIDVRELKEYLKKHGVNVRLHH
H
Ligand information
Ligand ID6VP
InChIInChI=1S/C7H4N2O3/c8-4-5-3-6(9(11)12)1-2-7(5)10/h1-3,10H
InChIKeyMPQNPFJBRPRBFF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1C#N)[N+]([O-])=O
OpenEye OEToolkits 2.0.5c1cc(c(cc1[N+](=O)[O-])C#N)O
FormulaC7 H4 N2 O3
Name5-nitro-2-oxidanyl-benzenecarbonitrile;
2-hydroxy-5-nitrobenzonitrile
ChEMBL
DrugBank
ZINCZINC000002738988
PDB chain5d2t 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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PDB5d2t Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 Wild Type
Resolution1.87 Å
Binding residue
(original residue number in PDB)		W50 E101 Y128 K222
Binding residue
(residue number reindexed from 1)		W48 E99 Y126 K220
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 22:43:58 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 = '5d2t', asym_id = 'A', bs = 'BS01', title = 'Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 Wild Type'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5d2t', asym_id='A', bs='BS01', title='Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 1 Wild Type')
   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 = '0000105,0000107', uniprot = '', pdbid = '5d2t', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000105,0000107', uniprot='', pdbid='5d2t', 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>