Structure of PDB 1zzh Chain D Binding Site BS03

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 402 [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)		W97 C200 C203 H204 Y215 F217 G218 V219 F248 R249 A250 Y262 F263 H264 M278 L283
Binding residue
(residue number reindexed from 1)		W88 C182 C185 H186 Y197 F199 G200 V201 F220 R221 A222 Y234 F235 H236 M250 L255
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Nov 26 12:05:08 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 = 'BS03', 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='BS03', 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>