Structure of PDB 6l4u Chain A Binding Site BS31

Receptor Information
>6l4u Chain A (length=741) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNVQIFVEKDAVETSFEKWAQPGHFSRTLAKGPKTTTWIWNLHADAHDFD
SQTNSLEEVSRKIFSAHFGQLAAIFLWISGMHFHGAYFSNYSAWLSDPIG
IKQSSQVVWPIVGQEILNADVGGNFQGVQTTSGWFQMWRAEGITSEVELY
WIAIGGLIMSALMLFAGWFHYHKAAPKLEWFQNAESMMNHHLAGLLGLGC
LSWSGHQIHIALPINKLLDAGVSPQEIPLPHEFLINRELMAQLYPSFGKG
LAPFFSGHWGEYSDFLTFKGGLNPVTGGLWLSDIAHHHLALSVLFIVAGH
MYRTNWGIGHSMKEILEAHKGPFTGEGHKGLYEILTTSWHAQLAINLAMM
GSLSIIVAHHMYAMPPYPYIATDYATQLSLFTHHMWIGGFCVTGGAAHAA
IFMVRDYTPANNYNNLLDRVLRHRDAIISHLNWVCIFLGCHAFGFYIHND
TMRALGRPQDMFSDKAIQLQPIFAQWIQNIHLLAPGTTAPNALATTSYAF
GGDVVEVGGKIAMMPIKLGTADFMVHHIHAFTIHVTVLILLKGVLYARSS
KLIPDKANLGFRFPCDGPGRGGTCQSSSWDHVFLGLFWMYNSISVVIFHF
SWKMQSDVWGTVTPDGSISHITGGNFAQSSITINGWLRDFLWSQASQVIQ
SYGSASSAYGLIFLGAHFIWAFSLMFLFSGRGYWQELIESIVWAHNKLNF
APAIQPRALSITQGRAVGLAHYLLGGIGTTWAFFLARSLSI
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 A Residue 831 [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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PDB6l4u Structure of photosystem I-light-harvesting supercomplex from a red-lineage diatom
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H53 A54 H57 D58 L353 L357 F400 G404 H408 I411 R415 F571 R572 W589 L596
Binding residue
(residue number reindexed from 1)		H43 A44 H47 D48 L343 L347 F390 G394 H398 I401 R405 F561 R562 W579 L586
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Mon Dec 2 20:12:16 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 = 'A', bs = 'BS31', 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='A', bs='BS31', 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 = '0009579,0015979,0016020,0046872', uniprot = '', pdbid = '6l4u', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0009579,0015979,0016020,0046872', uniprot='', pdbid='6l4u', 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>