Structure of PDB 6i1h Chain A Binding Site BS01

Receptor Information
>6i1h Chain A (length=340) Species: 813 (Chlamydia trachomatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDPLTINADLQRVAEESLNAAVKRVGGVWGSAAVLEIGTGRLLALAPGGT
RSVSAIYEPGSVGKLVTLAAAIDQKKVTPTSTFTVSSTRDMPNGERISDD
SPHETQDMTVAGIIAHSYNTGTVQIGDTVSDSVRYEYMQKFGWGAKTGIT
LPSEESGILRPHTEWGDRDHYTTMFGQGVAVTTIQLAQMVAVFGQKGVLI
PPRIIDGYDNGVYTPTVMGESRQVVSEDTAQTVLNIMQGATQPGGTAEGI
GAVKGYNVAAKTGTAENVGSSGSLTDTAATFTALIPAENPKIAVAVVIYK
ENGTVYGSTASAPVFVDIAQFAMREMKIPPSTVPLYKYPW
Ligand information
Ligand IDMER
InChIInChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,18-19,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10+,11-,12+,13-/m1/s1
InChIKeyDYQHXZPAIVAJRU-HTXLXMOSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1C(NC(=C1SC2CC(NC2)C(=O)N(C)C)C(=O)O)C(C=O)C(C)O
CACTVS 3.370C[CH](O)[CH](C=O)[CH]1NC(=C(S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O
CACTVS 3.370C[C@@H](O)[C@@H](C=O)[C@@H]1NC(=C(S[C@@H]2CN[C@@H](C2)C(=O)N(C)C)[C@@H]1C)C(O)=O
ACDLabs 12.01O=C(O)C2=C(SC1CC(C(=O)N(C)C)NC1)C(C(N2)C(C=O)C(O)C)C
OpenEye OEToolkits 1.7.6C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O
FormulaC17 H27 N3 O5 S
Name(4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid;
Meropenem, bound form
ChEMBL
DrugBank
ZINCZINC000103547705
PDB chain6i1h Chain A Residue 701 [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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PDB6i1h Crystal structure of TP domain from Chlamydia trachomatis Penicillin-Binding Protein 3 in complex with meropenem
Resolution1.78 Å
Binding residue
(original residue number in PDB)		S320 S360 S376 N378 T523 G524 T525
Binding residue
(residue number reindexed from 1)		S61 S101 S117 N119 T262 G263 T264
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Feb 21 20:50:24 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 = '6i1h', asym_id = 'A', bs = 'BS01', title = 'Crystal structure of TP domain from Chlamydia tr...illin-Binding Protein 3 in complex with meropenem'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6i1h', asym_id='A', bs='BS01', title='Crystal structure of TP domain from Chlamydia tr...illin-Binding Protein 3 in complex with meropenem')
   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 = '0008658', uniprot = '', pdbid = '6i1h', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008658', uniprot='', pdbid='6i1h', 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>