Structure of PDB 4czp Chain A Binding Site BS04

Receptor Information

>4czp Chain A (length=367) Species: 42742 (Gelatoporia subvermispora)

PTAVCSDGTRVSNAVCCDFVSLGQDLQSMVLQGDCGEDAHEIIRLTFHDA
VAISRKLGPSAGGGADGSMLLFPLVEPEFAASNGIDDSVNNLIPFLSLHP
TISAGDLVQFAGAVALSNCPGAPRVQFLAGRPNHTIAAIDGLIPEPQDNV
TSILERFDDAGGFTPFEVVSLLASHTIARADKVDPTLDAAPFDTTPFTFD
SQIFLEVLLKGVGFPGLDNNTGEVSSPLPLGDTSTGGKDTGLMRLQSDFA
LAHDPRTACFWQGFVDQQEFMSQSFASAFAKLAVLGHNTDDLIDCSEVVP
VPKPAVDKPTTFPATTGPQDLELSCLAERFPTLSVDPGAQETLIPHCSDG
LENCTSVQFSGPATDSP

Ligand information

• Ligand ID: HEM
• 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,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-;
• InChIKey: KABFMIBPWCXCRK-RGGAHWMASA-L
• SMILES:
  OpenEye OEToolkits 1.7.6: Cc1c2n3c(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 3.385: CC1=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 12.01: C=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
• Formula: C34 H32 Fe N4 O4
• Name: PROTOPORPHYRIN IX CONTAINING FE;
  HEME
• DrugBank: DB18267
• PDB chain: 4czp Chain A Residue 1374

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4czp Structural Implications of the C-Terminal Tail in the Catalytic and Stability Properties of Manganese Peroxidases from Ligninolytic Fungi
• Resolution: 1.898 Å
• Binding residue (original residue number in PDB): E35 H38 E39 R42 F45 E143 P144 I151 L170 S172 H173 A176 R177 A178 D179 K180 V181 L243
• Binding residue (residue number reindexed from 1): E37 H40 E41 R44 F47 E145 P146 I153 L172 S174 H175 A178 R179 A180 D181 K182 V183 L245
• Annotation score: 4

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Thu Nov 28 19:26:11 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 = '4czp', asym_id = 'A', bs = 'BS04', title = 'Structural Implications of the C-Terminal Tail i...of Manganese Peroxidases from Ligninolytic Fungi '

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4czp', asym_id='A', bs='BS04', title='Structural Implications of the C-Terminal Tail i...of Manganese Peroxidases from Ligninolytic Fungi ')

   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 = '0004601,0006979,0020037,0034599', uniprot = '', pdbid = '4czp', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004601,0006979,0020037,0034599', uniprot='', pdbid='4czp', asym_id='A')

    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>