Structure of PDB 4c73 Chain A Binding Site BS02

Receptor Information

>4c73 Chain A (length=414) Species: 83332 (Mycobacterium tuberculosis H37Rv)

QPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVT
KWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPE
VDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAA
VIGLQLGARAGVMTPVSAQSSGSEAIAHAWRQIVMGDADVAVCGGVEGPI
EALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEE
HAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSP
ADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGA
LESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSF
GFGGHNVALAFGRY

Ligand information

• Ligand ID: M7U
• InChI: InChI=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
• InChIKey: DHZGLVWUKHQXOO-LQFQNGICSA-L
• SMILES:
  OpenEye OEToolkits 1.7.6: CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC(C)CCCCCCCC)COP(=O)(O)O
  OpenEye OEToolkits 1.7.6: CCCCCCCCCCCCCCCC(=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 3.385: CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC[CH](C)CCCCCCCC)CO[P](O)(O)=O
  CACTVS 3.385: CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)CO[P](O)(O)=O
• Formula: C38 H75 O8 P
• Name: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate
• PDB chain: 4c73 Chain A Residue 1428

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4c73 Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): G115 E120 G200 P201 I202 E203 P206 F239 G240 E241
• Binding residue (residue number reindexed from 1): G113 E118 G198 P199 I200 E201 P204 F237 G238 E239
• Annotation score: 1

Gene Ontology

--> -->

UnboundLocalError

Python 3.6.8: /usr/bin/python3 Thu Nov 28 10:34:36 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 = '4c73', 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='4c73', 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 = '4c73', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016746', uniprot='', pdbid='4c73', 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>