Structure of PDB 6i1f Chain A Binding Site BS01

Receptor Information
>6i1f Chain A (length=343) Species: 813 (Chlamydia trachomatis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YQDPLTINADLQRVAEESLNAAVKRVGGVWGSAAVLEIGTGRLLALAPGG
TRSVSAIYEPGSVGKLVTLAAAIDQKKVTPTSTFTVSSTRDMPNGERISD
DSPHETQDMTVAGIIAHSYNTGTVQIGDTVSDSVRYEYMQKFGWGAKTGI
TLPSEESGILRPHTEWGDRDHYTTMFGQGVAVTTIQLAQMVAVFGQKGVL
IPPRIIDGYDDENGVYTPTVMGESRQVVSEDTAQTVLNIMQGATQPGGTA
EGIGAVKGYNVAAKTGTAENVGSSGSLTDTAATFTALIPAENPKIAVAVV
IYKENGTVYGSTASAPVFVDIAQFAMREMKIPPSTVPLYKYPW
Ligand information
Ligand IDAXL
InChIInChI=1S/C16H21N3O5S/c1-16(2)12(15(23)24)19-14(25-16)10(7-20)18-13(22)11(17)8-3-5-9(21)6-4-8/h3-7,10-12,14,19,21H,17H2,1-2H3,(H,18,22)(H,23,24)/t10-,11-,12+,14-/m1/s1
InChIKeySMLJDSWXGVMNTH-NRWUCQMLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccc(cc2)O)N)C(=O)O)C
CACTVS 3.370CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](N)c2ccc(O)cc2)C=O
ACDLabs 12.01O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccc(O)cc2)N
OpenEye OEToolkits 1.7.6CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccc(cc2)O)N)C(=O)O)C
CACTVS 3.370CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](NC(=O)[C@H](N)c2ccc(O)cc2)C=O
FormulaC16 H21 N3 O5 S
Name2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID;
AMOXICILLIN, bound form
ChEMBL
DrugBankDB03658
ZINCZINC000033821208
PDB chain6i1f 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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PDB6i1f Crystal structure of TP domain from Chlamydia trachomatis Penicillin-Binding Protein 3 in complex with amoxicillin
Resolution1.89 Å
Binding residue
(original residue number in PDB)		S320 D359 S376 N378 T523 G524 T525 E527 Y567
Binding residue
(residue number reindexed from 1)		S62 D101 S118 N120 T265 G266 T267 E269 Y309
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 01:37:27 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 = '6i1f', asym_id = 'A', bs = 'BS01', title = 'Crystal structure of TP domain from Chlamydia tr...lin-Binding Protein 3 in complex with amoxicillin'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6i1f', asym_id='A', bs='BS01', title='Crystal structure of TP domain from Chlamydia tr...lin-Binding Protein 3 in complex with amoxicillin')
   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 = '6i1f', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008658', uniprot='', pdbid='6i1f', 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>