Structure of PDB 2c1v Chain A Binding Site BS01

Receptor Information
>2c1v Chain A (length=335) Species: 82367 (Paracoccus pantotrophus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIDNGALREEAKGVFEAIPEKMTAIKQTEDNPEGVPLTAEKIELGKVLFF
DPRMSSSGLISCQTCHNVGLGGVDGLPTSIGHGWQKGPRNAPTMLNAIFN
AAQFWDGRAADLAEQAKGPVQAGVEMSNTPDQVVKTINSMPEYVEAFKAA
FPEEADPVTFDNFAAAIEQFEATLITPNSAFDRFLAGDDAAMTDQEKRGL
QAFMETGCTACHYGVNFGGQDYHPFGLIAKPGAEVLPAGDTGRFEVTRTT
DDEYVFRAAPLRNVALTAPYFHSGVVWELAEAVKIMSSAQIGTELTDQQA
EDITAFLGTLTGEQPVIDHPILPVRTGTTPLPTPM
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 chain2c1v Chain A Residue 401 [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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PDB2c1v Activation and Catalysis of the Di-Heme Cytochrome C Peroxidase from Paracoccus Pantotrophus
Resolution1.2 Å
Binding residue
(original residue number in PDB)		C65 C68 H69 S82 R92 A94 P95 F107 W108 R111 Q118 P122 E128 M129 E174 R260
Binding residue
(residue number reindexed from 1)		C62 C65 H66 S79 R89 A91 P92 F104 W105 R108 Q115 P119 E125 M126 E171 R257
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 11:57:06 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 = '2c1v', asym_id = 'A', 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='2c1v', asym_id='A', 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 = '2c1v', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009055,0016491,0020037', uniprot='', pdbid='2c1v', 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>