Structure of PDB 4lnl Chain A Binding Site BS03

Receptor Information
>4lnl Chain A (length=332) Species: 945433 (Escherichia coli WV_060327) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIDLRSDTVTRPSRAMLEAMMAAPVGDDVYGDDPTVNALQDYAAELSGKE
AAIFLPTGTQANLVALLSHCERGEEYIVGQAAHNYLFEAGGAAVLGSIQP
QPIDAAADGTLPLDKVAMKIKPDDIHFARTKLLSLENTHNGKVLPREYLK
EAWEFTRKRNLALHVDGARIFNAVVAYGCELKEITQYCDSFTICLSKGLG
TPVGSLLVGNRDYIKRAIRWRKMTGGGMRQSGILAAAGMYALKNNVARLQ
EDHDNTAWMAEQLREAGADVMRQDTNMLFVRVGEENAAALGEYMKARNVL
INASPIVRLVTHLDVSRAQLAEVAAHWRAFLA
Ligand information
Ligand ID2BK
InChIInChI=1S/C12H19N2O8P/c1-6-11(16)9(4-14-10(7(2)15)12(17)18)8(3-13-6)5-22-23(19,20)21/h3,7,10,14-16H,4-5H2,1-2H3,(H,17,18)(H2,19,20,21)/t7-,10-/m0/s1
InChIKeyIZWQBQLGLAKRMN-XVKPBYJWSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@H](O)[C@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O
OpenEye OEToolkits 1.7.6Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@H](C)O)C(=O)O)O
ACDLabs 12.01O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C(O)C
CACTVS 3.385C[CH](O)[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
FormulaC12 H19 N2 O8 P
NameN-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-allothreonine
ChEMBL
DrugBank
ZINCZINC000002047762
PDB chain4lnl Chain A Residue 403 [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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PDB4lnl On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S6 G58 T59 H83 E136 D166 A168 R169 K197 R308
Binding residue
(residue number reindexed from 1)		S6 G58 T59 H83 E136 D166 A168 R169 K197 R308
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 18:29:50 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 = '4lnl', asym_id = 'A', bs = 'BS03', title = 'On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4lnl', asym_id='A', bs='BS03', title='On the catalytic mechanism and stereospecificity of Escherichia coli l-threonine aldolase.')
   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 = '0006520,0016829', uniprot = '', pdbid = '4lnl', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0006520,0016829', uniprot='', pdbid='4lnl', 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>