Structure of PDB 4c70 Chain B Binding Site BS02

Receptor Information
>4c70 Chain B (length=414) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVT
KWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPE
VDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAA
VIGLQLGARAGVMTPVSAQSSGSEAIAHAWRQIVMGDADVAVCGGVEGPI
EALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEE
HAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSP
ADIDHVNAHGTATPIGDAAEANAIRVAGCDQAAVYAPKSALGHSIGAVGA
LESVLTVLTLRDGVIPPTLNYETPDPEIDLDVVAGEPRYGDYRYAVNNSF
GFGGHNVALAFGRY
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 chain4c70 Chain B Residue 1421 [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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PDB4c70 Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis
Resolution1.75 Å
Binding residue
(original residue number in PDB)		G115 E120 E199 P201 E203 F239
Binding residue
(residue number reindexed from 1)		G113 E118 E197 P199 E201 F237
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Nov 28 10:06:10 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 = '4c70', asym_id = 'B', 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='4c70', asym_id='B', 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 = '4c70', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016746', uniprot='', pdbid='4c70', 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>