Structure of PDB 2c1u Chain C Binding Site BS01

Receptor Information
>2c1u Chain C (length=329) Species: 82367 (Paracoccus pantotrophus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIDNGALREEAKGVFEAIPEKMTAIKQPEGVPLTAEKIELGKVLFFDPRM
SSSGLISCQTCHNVGLGGVDGLPTSIGHGWQKGPRNAPTMLNAIFNAAQF
WDGRAADLAEQAKGPVQAGVSNTPDQVVKTINSMPEYVEAFKAAFPEEAD
PVTFDNFAAAIEQFEATLITPNSAFDRFLAGDDAAMTDQEKRGLQAFMET
GCTACHYGVNFGGQDYHPFGLIAKPGAEVLPAGDTGRFEVTRTTDDEYVF
RAAPLRNVALTAPYFHSGVVWELAEAVKIMSSAQIGTELTDQQAEDITAF
LGTLTGEQPVIDHPILPVRTGTTPLPTPM
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 chain2c1u Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure 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]
PDB2c1u Activation and Catalysis of the Di-Heme Cytochrome C Peroxidase from Paracoccus Pantotrophus
Resolution1.95 Å
Binding residue
(original residue number in PDB)		C65 C68 H69 S82 I83 G84 H85 Q88 R92 A94 P95 M97 F107 W108 P122 V123 R260
Binding residue
(residue number reindexed from 1)		C58 C61 H62 S75 I76 G77 H78 Q81 R85 A87 P88 M90 F100 W101 P115 V116 R251
Annotation score4
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 10:23:32 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 = '2c1u', asym_id = 'C', bs = 'BS01', title = 'Activation and Catalysis of the Di-Heme Cytochrome C Peroxidase from Paracoccus Pantotrophus'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='2c1u', asym_id='C', bs='BS01', title='Activation and Catalysis of the Di-Heme Cytochrome C Peroxidase from Paracoccus Pantotrophus')
   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 = '2c1u', asym_id = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009055,0016491,0020037', uniprot='', pdbid='2c1u', asym_id='C')
    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>