Structure of PDB 7kpt Chain A Binding Site BS02

Receptor Information

>7kpt Chain A (length=412) Species: 5077 (Penicillium citrinum)

QINVIIVGLGIAGLTAAIECHRKGHKVIAFEKTPKMMHIGDIFSIGPNAE
SVIRQWKDGAISRALNEARCAIDEIKVFDETGKLQNVNTMEGYREGEGYV
INRAEAVDIFFEYAQSLGIDIRFNSNVTEYWETPHNAGIIVDGLKIEADC
VIATDGIHSKARNAICGAVVQPKKTGSAIYRSGYAMEELRGHSGAVWLTE
GKEDVDQLYHFIGKDITVLVGTGRRGKDVYWGCMHKSLHDVSESWIQVSD
VRRAIELISDWNVRDRLEPIMACTPQGKCFDHLVMTMDQLPSWVSPKHRM
IVLGDAAHPFLPNTGQGANQAIEDGATVAICLELAGKNQVTKGVQVAERL
RYQRVAKIQELGHRMLKTLQNADWDGDEDAPTMITRPAWIYSHDCQQYAY
NEFQTVAQLVSE

Ligand information

• Ligand ID: WU4
• InChI: InChI=1S/C28H37N3O/c1-17(2)11-12-19-9-6-10-20-21-14-27-16-31-18(3)8-7-13-28(31,25(32)30-27)15-22(27)26(4,5)24(21)29-23(19)20/h6,9-11,18,22,29H,7-8,12-16H2,1-5H3,(H,30,32)/t18-,22+,27+,28-/m0/s1
• InChIKey: OMTRTWVJZBEAAJ-AEQSLLNGSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC1CCCC23N1CC4(Cc5c6cccc(c6[nH]c5C(C4C2)(C)C)CC=C(C)C)NC3=O
  CACTVS 3.385: C[C@H]1CCC[C@@]23C[C@@H]4C(C)(C)c5[nH]c6c(CC=C(C)C)cccc6c5C[C@]4(CN12)NC3=O
  ACDLabs 12.01: N2C(=O)C51N(C(CCC1)C)CC24Cc6c3c(c(ccc3)C\C=C(/C)C)nc6C(C)(C)C4C5
  OpenEye OEToolkits 2.0.7: C[C@H]1CCC[C@]23N1C[C@@]4(Cc5c6cccc(c6[nH]c5C([C@H]4C2)(C)C)CC=C(C)C)NC3=O
  CACTVS 3.385: C[CH]1CCC[C]23C[CH]4C(C)(C)c5[nH]c6c(CC=C(C)C)cccc6c5C[C]4(CN12)NC3=O
• Formula: C28 H37 N3 O
• Name: (6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one
• PDB chain: 7kpt Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7kpt Structural basis of the stereoselective formation of the spirooxindole ring in the biosynthesis of citrinadins.
• Resolution: 1.91 Å
• Binding residue (original residue number in PDB): I61 S63 I94 H229 L238 W250 G251 P331 I405
• Binding residue (residue number reindexed from 1): I42 S44 I75 H210 L219 W231 G232 P312 I384
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Mon Nov 25 04:23:31 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 = '7kpt', asym_id = 'A', bs = 'BS02', title = 'Structural basis of the stereoselective formatio...oxindole ring in the biosynthesis of citrinadins.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7kpt', asym_id='A', bs='BS02', title='Structural basis of the stereoselective formatio...oxindole ring in the biosynthesis of citrinadins.')

   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 = '0071949', uniprot = '', pdbid = '7kpt', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0071949', uniprot='', pdbid='7kpt', 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>