Structure of PDB 4mv5 Chain B Binding Site BS02

Receptor Information
>4mv5 Chain B (length=310) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQILLANPRGFCAGVDRAISIVENALAIYGAPIYVRHEVVHNRYVVDSLR
ERGAIFIEQISEVPDGAILIFSAHGVSQAVRNEAKSRDLTVFDATCPLVT
KVHMEVARASRRGEESILIGHAGHPEVEGTMGQYSNPEGGMYLVESPDDV
WKLTVKNEEKLSFMTQTTLSVDDTSDVIDALRKRFPKIVGPRKDDICYAT
TNRQEAVRALAEQAEVVLVVGSKNSSNSNRLAELAQRMGKRAFLIDDAKD
IQEEWVKEVKCVGVTAGASAPDILVQNVVARLQQLGGGEAIPLEGREENI
VFEVPKELRV
Ligand information
Ligand ID2E7
InChIInChI=1S/C6H8ClNO7P2/c7-6-2-1-5(3-8-6)4-14-17(12,13)15-16(9,10)11/h1-3H,4H2,(H,12,13)(H2,9,10,11)
InChIKeyHWMZLVMBHKPTHS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)O[P](O)(=O)OCc1ccc(Cl)nc1
ACDLabs 12.01Clc1ncc(cc1)COP(=O)(O)OP(=O)(O)O
OpenEye OEToolkits 1.7.6c1cc(ncc1COP(=O)(O)OP(=O)(O)O)Cl
FormulaC6 H8 Cl N O7 P2
Name(6-chloropyridin-3-yl)methyl trihydrogen diphosphate
ChEMBLCHEMBL2251820
DrugBank
ZINCZINC000098208145
PDB chain4mv5 Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mv5 Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		V40 H41 A73 H74 H124 E126 T168 S225 S226 N227 S269
Binding residue
(residue number reindexed from 1)		V40 H41 A73 H74 H124 E126 T168 S225 S226 N227 S269
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 11:25:25 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 = '4mv5', asym_id = 'B', bs = 'BS02', title = 'Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4mv5', asym_id='B', bs='BS02', title='Insights into the Binding of Pyridines to the Iron-Sulfur Enzyme IspH.')
   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 = '0019288,0046872,0050992,0051745', uniprot = '', pdbid = '4mv5', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0019288,0046872,0050992,0051745', uniprot='', pdbid='4mv5', asym_id='B')
    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>