Structure of PDB 4zv2 Chain A Binding Site BS01

Receptor Information
>4zv2 Chain A (length=225) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMRGTLRVGTEATFPPFGFKDENGKLVGFDIDLAKAIAKKLGVKVEFKPM
DFDGIIPALQSGKIDVVIAGMTITEERKKQVDFSDPYFEAGQAIVVKKGN
DSIKSLEDLKGKKVGVQLGSTSEQHVKKVAAGVKVKKFDNFSEAFQELKS
GRVDAVVTDNAVALAYVKQNPNAGVKIVGETFSGEPYGIAVRKGNSELLE
KINKALEEMKKDGTYDKIYEKWFGE
Ligand information
Ligand IDGLN
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
InChIKeyZDXPYRJPNDTMRX-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)N)C(C(=O)O)N
OpenEye OEToolkits 1.5.0C(CC(=O)N)[C@@H](C(=O)O)N
ACDLabs 10.04O=C(N)CCC(N)C(=O)O
CACTVS 3.341N[CH](CCC(N)=O)C(O)=O
CACTVS 3.341N[C@@H](CCC(N)=O)C(O)=O
FormulaC5 H10 N2 O3
NameGLUTAMINE
ChEMBLCHEMBL930
DrugBankDB00130
ZINCZINC000001532526
PDB chain4zv2 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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PDB4zv2 Ancestral Protein Reconstruction Yields Insights into Adaptive Evolution of Binding Specificity in Solute-Binding Proteins.
Resolution1.43 Å
Binding residue
(original residue number in PDB)		E17 F20 F58 G76 M77 T78 R83 S126 T127 D167
Binding residue
(residue number reindexed from 1)		E11 F14 F52 G70 M71 T72 R77 S120 T121 D159
Annotation score4
Binding affinityMOAD: Kd=1170uM
PDBbind-CN: -logKd/Ki=2.93,Kd=1170uM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 17:27:43 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 = '4zv2', asym_id = 'A', bs = 'BS01', title = 'Ancestral Protein Reconstruction Yields Insights...f Binding Specificity in Solute-Binding Proteins.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4zv2', asym_id='A', bs='BS01', title='Ancestral Protein Reconstruction Yields Insights...f Binding Specificity in Solute-Binding Proteins.')
   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 = '0015276,0016020,0030288,0071705', uniprot = '', pdbid = '4zv2', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0015276,0016020,0030288,0071705', uniprot='', pdbid='4zv2', 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>