Structure of PDB 8iuf Chain V1 Binding Site BS01

Receptor Information

>8iuf Chain V1 (length=504) Species: 3039 (Euglena gracilis)

SIIQVPDKAPKTPAGFLQDKDRIFQNIYNDHGQGLKNAQKLGDWYRTKDL
LAKGPEWIIDQIKKSGLRGRGGAGFPSGLKWSFMPKKPPADGRPSYVVIN
ADESEPGTCKDREIMRMEPHKLVEGTLIAGFAMRARAAYIYVRGEFYNET
LSVEKAIKEAYDAGLLGDNACGSGYKFDIVLCRGAGAYICGEETGLIESL
EGKSGKPRLKPPFPANIGLWGCPTIVTNVETVSVSPTILRRGPEWFASFG
RKNNSGTKLFCISGHVNTPCTVEESMSIPLRELLEKHCGGVRGGWDNLLA
VIPGGSSVPVLPKSICDDVLMDFDALMDEGSALGTAAVIVMDKSTDLIKA
LARISMFYKNESCNQCTPCREGAGVMANIMDRIWKGNGFGPEVDMIKDIA
DNVELRSICALGAAAAWPIQGLHKHFREEMIQRIEDFTDISYNLHKDEMF
GHGAAFDWRRTPKTFHGTLDSFQDSTYRPPAANNNAYRGQYPHVPIYEKE
KSEA

Ligand information

• Ligand ID: FMN
• InChI: InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
• InChIKey: FVTCRASFADXXNN-SCRDCRAPSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
  OpenEye OEToolkits 1.7.6: Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
  ACDLabs 12.01: N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
  CACTVS 3.385: Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
  CACTVS 3.385: Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
• Formula: C17 H21 N4 O9 P
• Name: FLAVIN MONONUCLEOTIDE;
  RIBOFLAVIN MONOPHOSPHATE
• ChEMBL: CHEMBL1201794
• DrugBank: DB03247
• ZINC: ZINC000003831425
• PDB chain: 8iuf Chain V1 Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8iuf Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism.
• Resolution: 2.81 Å
• Binding residue (original residue number in PDB): G86 G88 K97 N117 D119 Y205 G208 E209 N245 L428
• Binding residue (residue number reindexed from 1): G69 G71 K80 N100 D102 Y188 G191 E192 N228 L411
• Annotation score: 4

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Tue Dec 3 02:01:26 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 = '8iuf', asym_id = 'V1', bs = 'BS01', title = "Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism. "

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8iuf', asym_id='V1', bs='BS01', title="Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism. ")

   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 = '0010181,0051287,0051539', uniprot = '', pdbid = '8iuf', asym_id = 'V1'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0010181,0051287,0051539', uniprot='', pdbid='8iuf', asym_id='V1')

    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>