Structure of PDB 5etz Chain B Binding Site BS01

Receptor Information

>5etz Chain B (length=260) Species: 348780 (Natronomonas pharaonis DSM 2160)

EVTQRELFEFVLNDPLLASSLYINIALAGLSILLFVFMTRGLDDPRAKLI
AVSTILVPVVSIASYTGLASGLTISVLEMPAGHFAEGSSVMLGGEEVDGV
VTMWGRYLTWALSTPMILLALGLLAGSNATKLFTAITFDIAMCVTGLAAA
LTTSSHLMRWFWYAISCACFIVVLYILLVEWAQDAKAAGTADIFSTLKLL
TVVMWLGYPIVWALGVEGVAVLPVGYTSWAYSALDIVAKYIFAFLLLNYL
TSNEGVVSGS

Ligand information

• Ligand ID: 22B
• InChI: InChI=1S/C50H76O4/c1-39(23-17-25-41(3)27-19-29-43(5)31-33-45(49(11,12)53)35-37-47(7,8)51)21-15-16-22-40(2)24-18-26-42(4)28-20-30-44(6)32-34-46(50(13,14)54)36-38-48(9,10)52/h15-34,45-46,51-54H,35-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20?,33-31+,34-32?,39-21+,40-22+,41-25+,42-26?,43-29+,44-30?/t45-,46?/m1/s1
• InChIKey: UVCQMCCIAHQDAF-CUMPQFAQSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H](CCC(C)(C)O)C(C)(C)O
  CACTVS 3.341: CC(=C\C=C\C=C(C)\C=C\C=C(C)\C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O)/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](CCC(C)(C)O)C(C)(C)O
  ACDLabs 10.04: OC(CCC(/C=C\C(=C\C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(CCC(O)(C)C)C(O)(C)C)C)C)C)C)C)C)C(O)(C)C)(C)C
  OpenEye OEToolkits 1.5.0: CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O)C=CC=C(C)C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O
  CACTVS 3.341: CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O)C=CC=C(C)C=CC=C(C)C=C[CH](CCC(C)(C)O)C(C)(C)O
• Formula: C50 H76 O4
• Name: BACTERIORUBERIN
• PDB chain: 5etz Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5etz Crystal Structure of the 11-cis Isomer of Pharaonis Halorhodopsin: Structural Constraints on Interconversions among Different Isomeric States
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): I49 V53 T56 I79
• Binding residue (residue number reindexed from 1): I32 V36 T39 I62
• Annotation score: 4

Gene Ontology

--> -->

UnboundLocalError

Python 3.6.8: /usr/bin/python3 Fri Nov 29 02:56:02 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 = '5etz', asym_id = 'B', bs = 'BS01', title = 'Crystal Structure of the 11-cis Isomer of Pharao...Interconversions among Different Isomeric States '

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5etz', asym_id='B', bs='BS01', title='Crystal Structure of the 11-cis Isomer of Pharao...Interconversions among Different Isomeric States ')

   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 = '0005216,0006811,0016020', uniprot = '', pdbid = '5etz', asym_id = 'B'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005216,0006811,0016020', uniprot='', pdbid='5etz', asym_id='B')

    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>