Structure of PDB 6l4u Chain B Binding Site BS33

Receptor Information
>6l4u Chain B (length=731) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATKFPKFSQALAQDPATRRIWYGIATAHDLEAHDGMTEENLYQKIFASHF
GHLAIIFLWTAGNLFHVAWQGNFEQWVAKPLKTKPIAHSIWDPHFGESAL
KAFSKGNTYPVNIAFSGVYQWWYTIGFRTNQELYAGSIGLLALSCVLLFA
GWLHLQPKFRPSLSWFKNNESRLNHHLSGLLGVSSLAWTGHIVHVAIPAS
RGVHVGWDNFLTTPPHPAGLTPFFTGNWTVYAENPDSASHVYGTSEGAGT
AILTFLGGFHPQTQSLWLSDIAHHQLAIAVVFIIAGHMYRTNFGIGHNMK
EILDAHRPPGGRLGAGHVGLFETITNSLHMQLGLALASLGVATSLTAQHM
YALTPYAYLSKDFTTEAALYTHHQYIAGFLMVGAFAHGAIFFVRDYDPEL
NKNNVLARMLEHKEAIISHLSWASLFLGFHTLGLYIHNDTVVAFGQPEKQ
ILFEPVFAEYIQAASGKAVYQFNVLLSSPTSPATVAGNQVWLPGWLDAIN
NPKNDLFLKIGPGDFLVHHAIALGLHVTALILVKGALDARGSKLMPDKKD
FGYSFPCDGPGRGGTCDISAWDAFYLAMFWMLNTIGWVTFYWHWKHMTIW
GGNPGQFDESSNYIMGWLRDYLWLNSSPLINGYNPFGMNNLSVWSWMFLF
GHLIWATGFMFLISWRGYWQELIETLVWAHERTPLANLIRWRDKPVALSI
VQARLVGLAHFSVGYILTYAAFVIASTSGKF
Ligand information
Ligand IDCLA
InChIInChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1
InChIKeyATNHDLDRLWWWCB-AENOIHSZSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C
ACDLabs 12.01O=C(OC)C1C(=O)C2=C(C)C3=CC=4C(CC)=C(C)C5=Cc6c(C=C)c(C)c7C=C8C(C)C(CCC(=O)OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C=9C1=C2N3[Mg](n76)(N5=4)N8=9
OpenEye OEToolkits 2.0.7CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C
CACTVS 3.385CCC1=C(C)C2=Cc3n4[Mg][N@@]5C(=CC1=N2)C(=C6C(=O)[C@H](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[C@@H](C)[C@@H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C
FormulaC55 H72 Mg N4 O5
NameCHLOROPHYLL A
ChEMBL
DrugBankDB02133
ZINC
PDB chain6l4u Chain B Residue 826 [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]
PDB6l4u Structure of photosystem I-light-harvesting supercomplex from a red-lineage diatom
Resolution2.4 Å
Binding residue
(original residue number in PDB)		W60 S117 A369 T372 H373 Y376 I377 I717 A721
Binding residue
(residue number reindexed from 1)		W59 S116 A368 T371 H372 Y375 I376 I716 A720
Annotation score4
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 00:31:52 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 = '6l4u', asym_id = 'B', bs = 'BS33', title = 'Structure of photosystem I-light-harvesting supercomplex from a red-lineage diatom'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6l4u', asym_id='B', bs='BS33', title='Structure of photosystem I-light-harvesting supercomplex from a red-lineage diatom')
   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 = '0009522,0009579,0015979,0016020', uniprot = '', pdbid = '6l4u', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009522,0009579,0015979,0016020', uniprot='', pdbid='6l4u', asym_id='B')
    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>