Structure of PDB 7oo5 Chain A Binding Site BS01

Receptor Information
>7oo5 Chain A (length=331) Species: 84607 (Agrocybe pediades) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVTCPTGQTTANEACCVLFPVIDLLQEELFDGGECGEEAHAALRLAFHDA
IGFSKNGGKGGGADGSILAFHQTETTYAANSGIEDIITAQLPIFQKTNLT
AGDFVHLAAAIGTGNCPGSPQLAYSFGRPPPVAPAPDGTVPEPTDSVTDI
LARFSEAGFVTAEVIWLLASHSIAAASKIDTSAPRTPFDSTPALFDTQFY
LETILNGTLLPGDGGAHTGEVLSPIAGEMRLQSDFAFAQDPRTACLWQEP
INDQAFIQGKFFAAMKKLQVLGQTGLTDCSDVIPVPASLPGPITFPAGFS
EADVISACTATPLPSLATIAGPKPTIPPVPL
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 chain7oo5 Chain A Residue 401 [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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PDB7oo5 Agaricales Mushroom Lignin Peroxidase: From Structure-Function to Degradative Capabilities.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		E37 H40 A41 R44 F47 P143 L167 L168 S170 H171 A174 A175 A176 S177 K178 F188
Binding residue
(residue number reindexed from 1)		E37 H40 A41 R44 F47 P143 L167 L168 S170 H171 A174 A175 A176 S177 K178 F188
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 30 22:53:36 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 = '7oo5', asym_id = 'A', bs = 'BS01', title = 'Agaricales Mushroom Lignin Peroxidase: From Structure-Function to Degradative Capabilities.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7oo5', asym_id='A', bs='BS01', title='Agaricales Mushroom Lignin Peroxidase: From Structure-Function to Degradative Capabilities.')
   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 = '0004601,0006979,0020037,0034599', uniprot = '', pdbid = '7oo5', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004601,0006979,0020037,0034599', uniprot='', pdbid='7oo5', 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>