Structure of PDB 8y33 Chain A Binding Site BS01

Receptor Information
>8y33 Chain A (length=184) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRGSEDFQYAIDMFKKFIEEAAASMGPEAVKYAKEFLKLLKEYHKNGINN
RLLKIALLLLRNQKKIVDKASQDLWRRHPELIAPGGIAFSQRDRALCLRD
YGWFLILIVMCLVSGDKGPIEKIGLKCIREMYNSLGVVPAMMESIRCLKE
ASLSLLDEEDANETAPYFDYIIKAMSLEHHHHHH
Ligand information
Ligand IDV8U
InChIInChI=1S/C33H38N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,34-35H,2,7,9-15H2,1,3-6H3,(H,38,39)(H,40,41)
InChIKeyUETWWFBMDBJSDH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC1=C(C(=O)N=C1Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4=NC(=O)C(=C4C)C=C)C)CCC(=O)O)CCC(=O)O)C)C
CACTVS 3.385CCC1=C(C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(CC4=NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
FormulaC33 H38 N4 O6
Name3-[5-[(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
ChEMBL
DrugBank
ZINC
PDB chain8y33 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8y33 De novo backbone design for monomerization of near-infrared fluorescent protein
Resolution2.9 Å
Binding residue
(original residue number in PDB)		F47 S54 M55 L126 C127A D130 W133 F134 C157 M161 S164 L165 M171
Binding residue
(residue number reindexed from 1)		F17 S24 M25 L96 C97 D100 W103 F104 C127 M131 S134 L135 M141
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Nov 25 22:04:40 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 = '8y33', asym_id = 'A', bs = 'BS01', title = 'De novo backbone design for monomerization of near-infrared fluorescent protein'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8y33', asym_id='A', bs='BS01', title='De novo backbone design for monomerization of near-infrared fluorescent protein')
   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 = '0015979,0030089', uniprot = '', pdbid = '8y33', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0015979,0030089', uniprot='', pdbid='8y33', 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>