Structure of PDB 6h2i Chain A Binding Site BS01

Receptor Information
>6h2i Chain A (length=269) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLADRFAELERRYDARLGVYVPATGTTAAIEYRADERFAFCSTFKAPLVA
AVLHQNPLTHLDKLITYTSDDIRSISPVAQQHVQTGMTIGQLCDAAIRYS
DGTAANLLLADLGGPGGGTAAFTGYLRSLGDTVSRLDAEEPELNRDPPGD
ERDTTTPHAIALVLQQLVLGNALPPDKRALLTDWMARNTTGAKRIRAGFP
ADWKVIDKTGTGDYGRANDIAVVWSPTGVPYVVAVMSDRAGGGYDAEPRE
ALLAEAATCVAGVLALEHH
Ligand information
Ligand IDTBE
InChIInChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2-/t8-,10-/m0/s1
InChIKeyANZZKUOZZHRUQC-AARLMMRRSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C](Cn1ccnn1)([CH](NC=CC=O)C(O)=O)[SH](=O)=O
OpenEye OEToolkits 1.5.0CC(Cn1ccnn1)(C(C(=O)O)NC=CC=O)S(=O)=O
OpenEye OEToolkits 1.5.0C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C/C=O)S(=O)=O
CACTVS 3.341C[C@](Cn1ccnn1)([C@@H](N\C=C/C=O)C(O)=O)[SH](=O)=O
ACDLabs 10.04O=S(=O)C(Cn1nncc1)(C)C(C(=O)O)N/C=C\C=O
FormulaC10 H14 N4 O5 S
NameTAZOBACTAM INTERMEDIATE
ChEMBL
DrugBank
ZINCZINC000103557701
PDB chain6h2i Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6h2i New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Resolution2.72 Å
Binding residue
(original residue number in PDB)		S70 S102 I103 S128 N172 R173 T239
Binding residue
(residue number reindexed from 1)		S42 S74 I75 S100 N144 R145 T211
Annotation score1
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 01:37:12 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 = '6h2i', asym_id = 'A', bs = 'BS01', title = 'New Conformations of Acylation Adducts of Inhibi...f beta-Lactamase from Mycobacterium tuberculosis.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6h2i', asym_id='A', bs='BS01', title='New Conformations of Acylation Adducts of Inhibi...f beta-Lactamase from Mycobacterium tuberculosis.')
   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 = '0008800,0017001,0030655,0046677', uniprot = '', pdbid = '6h2i', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008800,0017001,0030655,0046677', uniprot='', pdbid='6h2i', 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>