Structure of PDB 2c1u Chain C Binding Site BS02

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 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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PDB2c1u Activation and Catalysis of the Di-Heme Cytochrome C Peroxidase from Paracoccus Pantotrophus
Resolution1.95 Å
Binding residue
(original residue number in PDB)		W108 C211 C214 H215 F228 L230 R260 A261 A262 L264 Y273 F274 H275 M289 I294
Binding residue
(residue number reindexed from 1)		W101 C202 C205 H206 F219 L221 R251 A252 A253 L255 Y264 F265 H266 M280 I285
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 10:36:40 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 = 'BS02', 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='BS02', 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>