Structure of PDB 2vyw Chain A Binding Site BS01

Receptor Information
>2vyw Chain A (length=148) Species: 6192 (Fasciola hepatica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVLTQTQIDSILADLAHHTDTTEHITEMGVSIYKTLFAAHPEYISYFSKL
QGLTKDNVGQSEGIRYYGRTLGEELIRLLKAASNPSVLEERIVQGAKDHK
ARPVTKDQFTGAAPIFIKFFQGLLKKQEDKDAIEKFLLHVMQAIAAKM
Ligand information
Ligand IDHEM
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain2vyw Chain A Residue 149 [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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PDB2vyw The Hemoglobins of the Trematodes Fasciola Hepatica and Paramphistomum Epiclitum: A Molecular Biological, Physico-Chemical, Kinetic, and Vaccination Study.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y46 F47 S48 Y66 Y67 T70 L71 E74 D98 H99 R102 F109 F116 M141
Binding residue
(residue number reindexed from 1)		Y46 F47 S48 Y66 Y67 T70 L71 E74 D98 H99 R102 F109 F116 M141
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sun Nov 24 03:27:22 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 = '2vyw', asym_id = 'A', bs = 'BS01', title = 'The Hemoglobins of the Trematodes Fasciola Hepat...hysico-Chemical, Kinetic, and Vaccination Study. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='2vyw', asym_id='A', bs='BS01', title='The Hemoglobins of the Trematodes Fasciola Hepat...hysico-Chemical, Kinetic, and Vaccination Study. ')
   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 = '0019825,0020037', uniprot = '', pdbid = '2vyw', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0019825,0020037', uniprot='', pdbid='2vyw', 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>