Structure of PDB 1zzh Chain D Binding Site BS02

Receptor Information
>1zzh Chain D (length=298) Species: 1061 (Rhodobacter capsulatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALREEAKGLFEVIPMQAPQVTRDKIDLGAMLFFDPRMSKSGVFSCQSCHN
VGLGGVDGLETSIGHGWQKGPRNAPTALNAVFNVAQFWDGRAPDLAAQAM
NNTPENLVATVQSMPGYVEAFAKAFPGQKDPISFDNFALAVEAFEATLIT
PNSKFDQWLMGADGAMSADEKAGLKLFIDTGCAACHNGINIGGNGYYPFG
VVEKPGRFAVTATADDEYVFRAGPLRNIALTAPYFHSGKVWDLREAVSVM
ANSQLGATLDDTQVDQITAFLGTLTGEQPEVVHPILPVRSAQTPRPEH
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 chain1zzh Chain D 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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PDB1zzh Structural and mutagenesis studies on the cytochrome c peroxidase from Rhodobacter capsulatus provide new insights into structure-function relationships of bacterial di-heme peroxidases
Resolution2.7 Å
Binding residue
(original residue number in PDB)		C54 C57 H58 S71 I72 G73 H74 W76 Q77 R81 A83 P84 N92 Q95 W97 R249
Binding residue
(residue number reindexed from 1)		C45 C48 H49 S62 I63 G64 H65 W67 Q68 R72 A74 P75 N83 Q86 W88 R221
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 23 02:47:22 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 = '1zzh', asym_id = 'D', bs = 'BS02', title = 'Structural and mutagenesis studies on the cytoch...n relationships of bacterial di-heme peroxidases '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='1zzh', asym_id='D', bs='BS02', title='Structural and mutagenesis studies on the cytoch...n relationships of bacterial di-heme peroxidases ')
   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 = '0009055,0016491,0020037', uniprot = '', pdbid = '1zzh', asym_id = 'D'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009055,0016491,0020037', uniprot='', pdbid='1zzh', asym_id='D')
    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>