Structure of PDB 1eys Chain C Binding Site BS04

Receptor Information
>1eys Chain C (length=310) Species: 1050 (Thermochromatium tepidum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CEGPPPGTEQIGYRGVGMENYYVKRQRALSIQANQPVESLPAADSTGPKA
SEVYQSVQVLKDLSVGEFTRTMVAVTTWVSPKEGCNYCHVPGNWASDDIY
TKVVSRRMFELVRAANSDWKAHVAETGVTCYTCHRGNPVPKYAWVTDPGP
KYPSGLKPTGQNYGSKTVAYASLPFDPLTPFLDQANEIRITGNAALAGSN
PASLKQAEWTFGLMMNISDSLGVGCTSCHNTRAFNDWTQSTPKRTTAWYA
IRHVRDINQNYIWPLNDVLPASRKGPYGDPLRVSCMTCHQAVNKPLYGAQ
MAKDYPGLYK
Ligand information
Ligand IDHEM
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,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-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(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 3.385CC1=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 12.01C=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
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain1eys Chain C Residue 612 [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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PDB1eys Crystal structures of photosynthetic reaction center and high-potential iron-sulfur protein from Thermochromatium tepidum: thermostability and electron transfer.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H122 V123 T126 V128 K243 T246 A250 V254 C285 C288 H289 N293 K294 P295
Binding residue
(residue number reindexed from 1)		H122 V123 T126 V128 K243 T246 A250 V254 C285 C288 H289 N293 K294 P295
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 29 16:01:32 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 = '1eys', asym_id = 'C', bs = 'BS04', title = 'Crystal structures of photosynthetic reaction ce... tepidum: thermostability and electron transfer. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='1eys', asym_id='C', bs='BS04', title='Crystal structures of photosynthetic reaction ce... tepidum: thermostability and electron transfer. ')
   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 = '0005506,0009055,0019684,0020037,0030077', uniprot = '', pdbid = '1eys', asym_id = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005506,0009055,0019684,0020037,0030077', uniprot='', pdbid='1eys', 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>