Structure of PDB 1z5x Chain E Binding Site BS01

Receptor Information

>1z5x Chain E (length=237) Species: 7038 (Bemisia tabaci)

PITPEQEELIHRLVYFQNEYEHPSPEDIKRIVNAAPEEENVAEERFRHIT
EITILTVQLIVEFSKRLPGFDKLIREDQIALLKACSSEVMMFRMARRYDA
ETDSILFATNQPYTRESYTVAGMGDTVEDLLRFCRHMCAMKVDNAEYALL
TAIVIFSERPSLSEGWKVEKIQEIYIEALKAYVENRRKPYATTIFAKLLS
VLTELRTLGNMNSETCFSLKLKNRKVPSFLEEIWDVV

Ligand information

• Ligand ID: P1A
• InChI: InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
• InChIKey: PJYYBCXMCWDUAZ-JJJZTNILSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(C)CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O
  OpenEye OEToolkits 1.5.0: CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)O)O
  CACTVS 3.341: CC(C)CC[CH](O)[C](C)(O)[CH]1CC[C]2(O)C3=CC(=O)[CH]4C[CH](O)[CH](O)C[C]4(C)[CH]3CC[C]12C
  ACDLabs 10.04: O=C1C=C3C(C2(CC(O)C(O)CC12)C)CCC4(C)C(C(O)(C)C(O)CCC(C)C)CCC34O
  CACTVS 3.341: CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
• Formula: C27 H44 O6
• Name: 2,3,14,20,22-PENTAHYDROXYCHOLEST-7-EN-6-ONE;
  PONASTERONE A;
  25-DEOXYECDYSTERONE;
  25-DEOXY-20-HYDROXYECDYSONE,
• ChEMBL: CHEMBL549789
• ZINC: ZINC000004097822
• PDB chain: 1z5x Chain E Residue 5

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1z5x The X-ray structure of a hemipteran ecdysone receptor ligand-binding domain: comparison with a lepidopteran ecdysone receptor ligand-binding domain and implications for insecticide design.
• Resolution: 3.07 Å
• Binding residue (original residue number in PDB): E199 I227 I230 T231 T234 M268 R271 M272 R275 F285 A286 Y296 N390
• Binding residue (residue number reindexed from 1): E21 I49 I52 T53 T56 M90 R93 M94 R97 F107 A108 Y118 N212
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Thu Nov 28 10:46:02 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 = '1z5x', asym_id = 'E', bs = 'BS01', title = 'The X-ray structure of a hemipteran ecdysone rec... domain and implications for insecticide design. '

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='1z5x', asym_id='E', bs='BS01', title='The X-ray structure of a hemipteran ecdysone rec... domain and implications for insecticide design. ')

   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 = '0003677,0004879,0005634,0006355,0035076,0035100', uniprot = '', pdbid = '1z5x', asym_id = 'E'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0003677,0004879,0005634,0006355,0035076,0035100', uniprot='', pdbid='1z5x', asym_id='E')

    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>