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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 ID HEC InChI InChI=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-; InChIKey HXQIYSLZKNYNMH-LJNAALQVSA-N SMILES Software SMILES ACDLabs 10.04 O=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 1.5.0 CC=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 3.341 C\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 3.341 CC=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 Formula C34 H34 Fe N4 O4 Name HEME C ChEMBL DrugBank ZINC PDB chain 1zzh Chain D Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 1zzh Structural and mutagenesis studies on the cytochrome c peroxidase from Rhodobacter capsulatus provide new insights into structure-function relationships of bacterial di-heme peroxidases Resolution 2.7 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 score 4

Gene Ontology --> -->

UnboundLocalError

Python 3.6.8: /usr/bin/python3 Mon May 19 17:49:05 2025

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/BioLiP2/pdb.cgi in <module>()

1701     title=pdb2title(pdbid)

1702     if bs.startswith("BS"):

=> 1703         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)

1704     else:

1705         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/BioLiP2/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 ')

1326         display_ec(ec,csaOrig,csaRenu)

1327     if go:

=> 1328         display_go(go,uniprot,pdbid,asym_id)

1329     return pubmed,uniprot

1330

global display_go = <function display_go>, go = '0009055,0016491,0020037', uniprot = '', pdbid = '1zzh', asym_id = 'D'

/var/www/html/BioLiP2/pdb.cgi in display_go(go='0009055,0016491,0020037', uniprot='', pdbid='1zzh', asym_id='D')

484         '''.replace("$namespace_link",namespace_link

485           ).replace("$namespace",namespace

=>  486           ).replace("$uniprot",u

487         ))

488         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>