Structure of PDB 4kw5 Chain B Binding Site BS02

Receptor Information
>4kw5 Chain B (length=415) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTTATRLTGWGRTAPSVANVLRTPDAEMIVKAVARVAESGGGRGAIARGL
GRSYGDNAQNGGGLVIDMTPLNTIHSIDADTKLVDIDAGVNLDQLMKAAL
PFGLWVPVLPGTRQVTVGGAIACDIHGKNHHSAGSFGNHVRSMDLLTADG
EIRHLTPTGEDAELFWATVGGNGLTGIIMRATIEMTPTSTAYFIADGDVT
ASLDETIALHSDGSEARYTYSSAWFDAISAPPKLGRAAVSRGRLATVEQL
PAKLRSEPLKFELWYRKSGTYRGKVQNLTQFYHPGFLQYQFVIPTEAVDE
FKKIIGVIQASGHYSFLNVFKLFGPRNQAPLSFPIPGWNICVDFPIKDGL
GKFVSELDRRVLEFGGRLYTAKDSRTTAETFHAMYPRVDEWISVRRKVDP
LRVFASDMARRLELL
Ligand information
Ligand ID1W6
InChIInChI=1S/C16H13N3O4S2/c1-2-23-16(22)19-12(20)9-7-8-24-14(9)18-13(21)15-17-10-5-3-4-6-11(10)25-15/h3-8H,2H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyISNBJLXHBBZKSL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2
ACDLabs 12.01O=C(OCC)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2
CACTVS 3.385CCOC(=O)NC(=O)c1ccsc1NC(=O)c2sc3ccccc3n2
FormulaC16 H13 N3 O4 S2
Nameethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate
ChEMBLCHEMBL3262462
DrugBank
ZINCZINC000004275787
PDB chain4kw5 Chain B Residue 502 [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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PDB4kw5 Identification of a small molecule with activity against drug-resistant and persistent tuberculosis.
Resolution2.612 Å
Binding residue
(original residue number in PDB)		Y60 H132 K134 S228 W230 Y314 K418
Binding residue
(residue number reindexed from 1)		Y54 H126 K128 S222 W224 Y282 K372
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 29 21:54:59 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 = '4kw5', asym_id = 'B', bs = 'BS02', title = 'Identification of a small molecule with activity against drug-resistant and persistent tuberculosis.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4kw5', asym_id='B', bs='BS02', title='Identification of a small molecule with activity against drug-resistant and persistent 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 = '0003885,0016020,0050660,0071949', uniprot = '', pdbid = '4kw5', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003885,0016020,0050660,0071949', uniprot='', pdbid='4kw5', 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>