Structure of PDB 4c71 Chain A Binding Site BS02

Receptor Information
>4c71 Chain A (length=415) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFV
TKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSP
EVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAA
AVIGLQLGARAGVMTPVSAQSSGSEAIAHAWRQIVMGDADVAVCGGVEGP
IEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETE
EHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLS
PADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVG
ALESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNS
FGFGGHNVALAFGRY
Ligand information
Ligand IDM7U
InChIInChI=1S/C38H75O8P/c1-4-6-8-10-12-13-14-15-16-17-18-24-28-32-38(40)46-36(34-45-47(41,42)43)33-44-37(39)31-27-23-20-19-22-26-30-35(3)29-25-21-11-9-7-5-2/h35-36H,4-34H2,1-3H3,(H2,41,42,43)/p-2/t35-,36-/m1/s1
InChIKeyDHZGLVWUKHQXOO-LQFQNGICSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O
ACDLabs 12.01[O-]P(=O)([O-])OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC(C)CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC[CH](C)CCCCCCCC)CO[P](O)(O)=O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)CO[P](O)(O)=O
FormulaC38 H75 O8 P
Name(2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate
ChEMBL
DrugBank
ZINC
PDB chain4c71 Chain A Residue 1424 [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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PDB4c71 Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G115 E120 G200 P201 I202 E203 P206 F239 E241
Binding residue
(residue number reindexed from 1)		G114 E119 G199 P200 I201 E202 P205 F238 E240
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 17:58:36 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 = '4c71', asym_id = 'A', bs = 'BS02', title = 'Structural Basis for the Recognition of Mycolic ... and Drug Target from Mycobacterium Tuberculosis '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4c71', asym_id='A', bs='BS02', title='Structural Basis for the Recognition of Mycolic ... and Drug Target 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 = '0016746', uniprot = '', pdbid = '4c71', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016746', uniprot='', pdbid='4c71', 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>