Structure of PDB 8jfi Chain A Binding Site BS02

Receptor Information
>8jfi Chain A (length=248) Species: 210 (Helicobacter pylori) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMQFTGKNVLITGASKGIGAEIARTLASMGLKVWINYRSNAEVADALKNE
LEEKGYKAAVIKFDAASESDFVEAIQAIVQSDGGLSYLVNNAGVVRDKLA
IKMKTEDFHHVIDNNLTSAFIGCREALKVMSKSRFGSVVNIASIIGERGN
MGQTNYSASKGGMIAMSKSFAYEGALRNIRFNSVTPGFIETDMNANLKDE
LKADYVKNIPLNRLGAAKEVAEAVAFLLSDHSSYITGETLKVNGGLYM
Ligand information
Ligand IDUHC
InChIInChI=1S/C19H35N2O9PS/c1-4-5-6-7-14(22)12-16(24)32-11-10-20-15(23)8-9-21-18(26)17(25)19(2,3)13-30-31(27,28)29/h17,25H,4-13H2,1-3H3,(H,20,23)(H,21,26)(H2,27,28,29)/t17-/m1/s1
InChIKeyHGKMRNVHDOTSFB-QGZVFWFLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O
OpenEye OEToolkits 2.0.7CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O
CACTVS 3.385CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
CACTVS 3.385CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P](O)(O)=O
FormulaC19 H35 N2 O9 P S
Name~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneoctanethioate
ChEMBL
DrugBank
ZINC
PDB chain8jfi Chain A Residue 302 [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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PDB8jfi The Molecular Basis of Catalysis by SDR Family Members Ketoacyl-ACP Reductase FabG and Enoyl-ACP Reductase FabI in Type-II Fatty Acid Biosynthesis.
Resolution2.38 Å
Binding residue
(original residue number in PDB)		D96 S142 M150 Q152 Y155 F187 M192 Y204
Binding residue
(residue number reindexed from 1)		D97 S143 M151 Q153 Y156 F188 M193 Y205
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Wed Feb 19 05:17:27 2025

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 = '8jfi', asym_id = 'A', bs = 'BS02', title = 'The Molecular Basis of Catalysis by SDR Family M...ductase FabI in Type-II Fatty Acid Biosynthesis. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8jfi', asym_id='A', bs='BS02', title='The Molecular Basis of Catalysis by SDR Family M...ductase FabI in Type-II Fatty Acid Biosynthesis. ')
   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 = '0004316,0006633,0016491,0051287', uniprot = '', pdbid = '8jfi', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004316,0006633,0016491,0051287', uniprot='', pdbid='8jfi', 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>