Structure of PDB 5ira Chain A Binding Site BS01

Receptor Information
>5ira Chain A (length=122) Species: 1895 (Streptomyces avidinii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DEAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDS
APATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTS
GTTEANAWKSTLVGHDTFTKVK
Ligand information
Ligand ID9RU
InChIInChI=1S/C31H41N5O2S.2ClH.Ru/c1-19-12-20(2)29(21(3)13-19)35-10-11-36(18-35)30-22(4)14-24(15-23(30)5)16-32-27(37)9-7-6-8-26-28-25(17-39-26)33-31(38)34-28;;;/h12-15,25-26,28H,6-11,16-17H2,1-5H3,(H,32,37)(H2,33,34,38);2*1H;/q+1;;;+2/p-2/t25-,26-,28-;;;/m0.../s1
InChIKeyVGZBJQOZYFCODI-ZYPDNKHZSA-L
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cc(C)c(N2CC[N+](=C2[Ru](Cl)Cl)c3c(C)cc(CNC(=O)CCCC[CH]4SC[CH]5NC(=O)N[CH]45)cc3C)c(C)c1
OpenEye OEToolkits 2.0.4Cc1cc(c(c(c1)C)N2CC[N+](=C2[Ru](Cl)Cl)c3c(cc(cc3C)CNC(=O)CCCCC4C5C(CS4)NC(=O)N5)C)C
OpenEye OEToolkits 2.0.4Cc1cc(c(c(c1)C)N2CC[N+](=C2[Ru](Cl)Cl)c3c(cc(cc3C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C)C
CACTVS 3.385Cc1cc(C)c(N2CC[N+](=C2[Ru](Cl)Cl)c3c(C)cc(CNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)cc3C)c(C)c1
FormulaC31 H41 Cl2 N5 O2 Ru S
Name
ChEMBL
DrugBank
ZINC
PDB chain5ira Chain A Residue 201 [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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PDB5ira Directed evolution of artificial metalloenzymes for in vivo metathesis.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		L25 S27 Y43 S45 V47 G48 N49 W79 A86 T90 W108 D128
Binding residue
(residue number reindexed from 1)		L13 S15 Y31 S33 V35 G36 N37 W67 A74 T78 W96 D116
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 04:45:45 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 = '5ira', asym_id = 'A', bs = 'BS01', title = 'Directed evolution of artificial metalloenzymes for in vivo metathesis.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5ira', asym_id='A', bs='BS01', title='Directed evolution of artificial metalloenzymes for in vivo metathesis.')
   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 = '0009374', uniprot = '', pdbid = '5ira', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009374', uniprot='', pdbid='5ira', 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>