Structure of PDB 1eys Chain L Binding Site BS03

Receptor Information

>1eys Chain L (length=280) Species: 1050 (Thermochromatium tepidum)

AMLSFEKKYRVRGGTLIGGDLFDFWVGPFYVGFFGVVGFCFTLLGVLLIV
WGATIGPTGPTSDLQTYNLWRISIAPPDLSYGLRMAPLTEGGLWQIITIC
AAGAFISWALREVEICRKLGIGFHVPFAFSFAIGAYLVLVFVRPLLMGAW
GHGFPYGILSHLDWVSNVGYQFLHFHYNPAHMLAISFFFTNCLALSMHGS
LILSVTNPQRGEPVKTSEHENTFFRDIVGYSIGALAIHRLGLFLALSAAF
WSAVCILISGPFWTRGWPEWWNWWLELPLW

Ligand information

• Ligand ID: BPH
• InChI: InChI=1S/C55H76N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51,57,59H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t31-,32-,34-,35+,39-,40+,51-/m1/s1
• InChIKey: KWOZSBGNAHVCKG-SZQBJALDSA-N
• SMILES:
  ACDLabs 12.01: O=C(OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(C(=O)C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)C(CC)C5C)C)C6C
  CACTVS 3.370: CC[C@@H]1[C@@H](C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)c5[C@@H](C(=O)OC)C(=O)c6c(C)c([nH]c56)cc1n2)c(C)c3C(C)=O
  OpenEye OEToolkits 1.7.6: CCC1c2cc3c(c4c([nH]3)c(c5nc(cc6c(c(c([nH]6)cc(n2)C1C)C(=O)C)C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C
  OpenEye OEToolkits 1.7.6: CCC1c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C
  CACTVS 3.370: CC[CH]1[CH](C)c2cc3[nH]c(cc4nc([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)[CH]4C)c5[CH](C(=O)OC)C(=O)c6c(C)c([nH]c56)cc1n2)c(C)c3C(C)=O
• Formula: C55 H76 N4 O6
• Name: BACTERIOPHEOPHYTIN A
• PDB chain: 1eys Chain L Residue 606

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1eys Crystal structures of photosynthetic reaction center and high-potential iron-sulfur protein from Thermochromatium tepidum: thermostability and electron transfer.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): I49 F105 W108 E112 F129 A132 Y156
• Binding residue (residue number reindexed from 1): I49 F105 W108 E112 F129 A132 Y156
• Annotation score: 4

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Tue Nov 26 02:54:40 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 = '1eys', asym_id = 'L', bs = 'BS03', 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='L', bs='BS03', 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 = '0009772,0019684,0030077,0045156', uniprot = '', pdbid = '1eys', asym_id = 'L'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009772,0019684,0030077,0045156', uniprot='', pdbid='1eys', asym_id='L')

    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>