Structure of PDB 8iag Chain B Binding Site BS01

Receptor Information
>8iag Chain B (length=223) Species: 326644 (Daldinia caldariorum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PWKAPGPDDVRGPCPMLNTLANHGFLPHDGKNIDVNTTVNALSSALNLDD
ELSRDLHTFAVTTNPQPNATWFSLNHLSRHNVLEHDASLSRQDAYFGPPD
VFNAAVFNETKAYWTGDIINFQMAANALTARLMTSNLTNPEFSMSQLGRG
FGLGETVCYVTILGSKETRTVPKAFVEYLFENERLPYELGFKKMKSALTE
DELTTMMGEIYSLQHLPESFTKP
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 chain8iag Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8iag Crystal structure of rDcaUPO A161C mutant from Daldinia caldariorum
Resolution1.5 Å
Binding residue
(original residue number in PDB)		P16 C17 P18 M19 L20 L59 E87 H88 S91 L92 S93 E158 C161 Y162 F183
Binding residue
(residue number reindexed from 1)		P13 C14 P15 M16 L17 L56 E84 H85 S88 L89 S90 E155 C158 Y159 F180
Annotation score4
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Wed Nov 27 19:40:43 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 = '8iag', asym_id = 'B', bs = 'BS01', title = 'Crystal structure of rDcaUPO A161C mutant from Daldinia caldariorum'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8iag', asym_id='B', bs='BS01', title='Crystal structure of rDcaUPO A161C mutant from Daldinia caldariorum')
   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', uniprot = '', pdbid = '8iag', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004601', uniprot='', pdbid='8iag', 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>