Structure of PDB 7zcl Chain B Binding Site BS02

Receptor Information
>7zcl Chain B (length=227) Species: 1934374 (Achaetomiella virescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALDFSKWKTRQPGEFRAPCPAMNSLANHGFIPRDGRNITVAMLVPVLQEV
FHLSPELAQTISTLGLFTAQDPSKGVFTLDDLNRHNLFEHDASLSREDYY
FHKDASTFRPEVFKKFMSHFKGKEYVTLEDAASARYAMVQESRKKNPTFT
YTVQQRITSYGETIKYFRTIVEPATGKCPVAWIKILFEQERLPYNEGWRP
PKAELSGFSMASDVLELALVTPEKLID
Ligand information
Ligand IDHEC
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,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;
InChIKeyHXQIYSLZKNYNMH-LJNAALQVSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C(\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)=C/C)C)C)C
OpenEye OEToolkits 1.5.0CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
CACTVS 3.341C\C=C1/C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
CACTVS 3.341CC=C1C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)C
FormulaC34 H34 Fe N4 O4
NameHEME C
ChEMBL
DrugBank
ZINC
PDB chain7zcl Chain B Residue 302 [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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PDB7zcl Structural Characterization of Two Short Unspecific Peroxygenases: Two Different Dimeric Arrangements.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		C19 P20 A21 M22 L47 F51 L53 I61 F88 E89 H90 S93 L94 S95 E162 K165 F187
Binding residue
(residue number reindexed from 1)		C19 P20 A21 M22 L47 F51 L53 I61 F88 E89 H90 S93 L94 S95 E162 K165 F187
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Dec 3 21:27:23 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 = '7zcl', asym_id = 'B', bs = 'BS02', title = 'Structural Characterization of Two Short Unspeci...eroxygenases: Two Different Dimeric Arrangements.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7zcl', asym_id='B', bs='BS02', title='Structural Characterization of Two Short Unspeci...eroxygenases: Two Different Dimeric Arrangements.')
   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 = '7zcl', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004601', uniprot='', pdbid='7zcl', 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>