Structure of PDB 4q9n Chain D Binding Site BS02

Receptor Information
>4q9n Chain D (length=295) Species: 1340853 (Chlamydia trachomatis F/11-96) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLKIDLTGKIAFIAGIGDDNGYGWGIAKMLAEAGATILVGTWVPIYKIFS
QSLELGKFNASRELSNGELLTFAKIYPMDASFDTPEDIPQEILENKRYKD
LSGYTVSEVVEQVKKHFGHIDILVHSLANSPEIAKPLLDTSRKGYLAALS
TSSYSFISLLSHFGPIMNAGASTISLTYLASMRAVPGYGGGMNAAKAALE
SDTKVLAWEAGRRWGVRVNTISAGPLASRAGKAIGFIERMVDYYQDWAPL
PSPMEAEQVGAAAAFLVSPLASAITGETLYVDHGANVMGIGPEMF
Ligand information
Ligand ID0WE
InChIInChI=1S/C22H23N3O3/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,24,26)
InChIKeyWDNCPCMRTFYNIQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4
ACDLabs 12.01O=C2Nc1ncc(cc1CC2)CCC(=O)N(C)Cc4oc3ccccc3c4C
CACTVS 3.370CN(Cc1oc2ccccc2c1C)C(=O)CCc3cnc4NC(=O)CCc4c3
FormulaC22 H23 N3 O3
NameN-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide
ChEMBL
DrugBank
ZINCZINC000095921071
PDB chain4q9n Chain D 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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PDB4q9n Type II Fatty Acid Synthesis Is Essential for the Replication of Chlamydia trachomatis.
Resolution1.795 Å
Binding residue
(original residue number in PDB)		N129 S130 I133 Y178 G187 Y188 A230 A233 F236
Binding residue
(residue number reindexed from 1)		N129 S130 I133 Y178 G187 Y188 A230 A233 F236
Annotation score1
Binding affinityMOAD: ic50=0.95uM
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 04:20:42 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 = '4q9n', asym_id = 'D', bs = 'BS02', title = 'Type II Fatty Acid Synthesis Is Essential for the Replication of Chlamydia trachomatis.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4q9n', asym_id='D', bs='BS02', title='Type II Fatty Acid Synthesis Is Essential for the Replication of Chlamydia trachomatis.')
   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 = '0004318,0006633', uniprot = '', pdbid = '4q9n', asym_id = 'D'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004318,0006633', uniprot='', pdbid='4q9n', asym_id='D')
    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>