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Structure of PDB 6lk2 Chain C Binding Site BS03

Receptor Information >6lk2 Chain C (length=344) Species: 1256987 (Providencia alcalifaciens F90-2004) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] MEKVTVTLDERSYPINIAPSLYQQQDAFWPLTAGQRAMIVTNETLAPLYL HKIQTVLEVSGVKVDSIILPDGEQYKSLFIMNDVFTALLEKHHNRDTTLI ALGGGVIGDLTGFAAASYQRGVRFIQVPTTLLSQVDSSVGGKTAVNHPLG KNMIGAFYQPASVVIDLDCLKTLPKRELSSGLAEVIKYGIILDGEFFSWL EENIDALMALDNQAMAYCIRRCCELKAQVVAADEGLRALLNLGHTFGHAI EAEMGYGVWLHGEAVAAGMVMAAKTAELIGQFTPEQTDRVIALLKRAELP VTGPAKMQPDDYLPHMMLHLILPTTIGHSEMRSDVDASTVTAAI

Ligand information Ligand ID 7LH InChI InChI=1S/C16H20O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1,3,5,11-12,14,17-19,21,24H,2,4,6-7H2,(H,22,23)/t11-,12-,14+,16-/m1/s1 InChIKey RLGFSACCIOSKQS-UNIGVISCSA-N SMILES Software SMILES OpenEye OEToolkits 2.0.6 c1cc(c(cc1CCC(=O)OC2CC(CC(C2O)O)(C(=O)O)O)O)O CACTVS 3.385 O[CH]1C[C](O)(C[CH](OC(=O)CCc2ccc(O)c(O)c2)[CH]1O)C(O)=O CACTVS 3.385 O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)CCc2ccc(O)c(O)c2)[C@H]1O)C(O)=O OpenEye OEToolkits 2.0.6 c1cc(c(cc1CCC(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O)O Formula C16 H20 O9 Name (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid ChEMBL DrugBank ZINC PDB chain 6lk2 Chain C Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 6lk2 Structural and Biochemical Analyses Reveal that Chlorogenic Acid Inhibits the Shikimate Pathway. Resolution 2.503 Å Binding residue (original residue number in PDB) D136 K142 K226 R241 N245 H248 Binding residue (residue number reindexed from 1) D136 K142 K226 R237 N241 H244 Annotation score 1 Binding affinity MOAD: Kd=0.5uM

Gene Ontology --> -->

UnboundLocalError

Python 3.6.8: /usr/bin/python3 Wed May 21 00:50:26 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>()

1701     title=pdb2title(pdbid)

1702     if bs.startswith("BS"):

=> 1703         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)

1704     else:

1705         if lig3:

pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '6lk2', asym_id = 'C', bs = 'BS03', title = 'Structural and Biochemical Analyses Reveal that Chlorogenic Acid Inhibits the Shikimate Pathway.'

/var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6lk2', asym_id='C', bs='BS03', title='Structural and Biochemical Analyses Reveal that Chlorogenic Acid Inhibits the Shikimate Pathway.')

1326         display_ec(ec,csaOrig,csaRenu)

1327     if go:

=> 1328         display_go(go,uniprot,pdbid,asym_id)

1329     return pubmed,uniprot

1330

global display_go = <function display_go>, go = '0003856,0005737,0009073,0016838', uniprot = '', pdbid = '6lk2', asym_id = 'C'

/var/www/html/BioLiP/pdb.cgi in display_go(go='0003856,0005737,0009073,0016838', uniprot='', pdbid='6lk2', asym_id='C')

484         '''.replace("$namespace_link",namespace_link

485           ).replace("$namespace",namespace

=>  486           ).replace("$uniprot",u

487         ))

488         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>