Structure of PDB 7unj Chain A Binding Site BS01

Receptor Information

>7unj Chain A (length=218) Species: 32630 (synthetic construct)

DSRELIARYQILLAELAAIRADIAAERTGDPYVRKLARELKRLAQEAAEE
VKRDPSSSDVNMALLLILLMIELAVRALEAAERTGDPEVRELAAELVWLA
VEAAEEVQRNPSSSDVWLALHLIMLAIWAAVAALEAAERTGDPEVRELAR
ELVRLAVEAAEEVQRNPSSKEVYMALLLILIAILEAVLSLLRAERSGDPE
KREKARERVREAVERAEE

Ligand information

• Ligand ID: OE9
• InChI: InChI=1S/C36H37N4O5.Zn/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23;/h9,13-15,18,22,32H,1,10-12H2,2-8H3,(H-,37,38,39,40,42);/q-1;+2/p-1/t18-,22+,32+;/m0./s1
• InChIKey: KSFOOHVZTTVNHW-PIFGRXHESA-M
• SMILES:
  ACDLabs 12.01: O=C(OC)CCC1C(C)C2=Cc3c(C)c(C=C)c4C=C5C(C)=C(CC)C=6C=C7C(C)=C8C(=O)C(C9=C8N7[Zn](N2=C91)(n34)N5=6)C(=O)OC
  OpenEye OEToolkits 2.0.7: CCC1=C(C2=Cc3c(c(c4n3[Zn]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=C)C
  OpenEye OEToolkits 2.0.7: CCC1=C(C2=Cc3c(c(c4n3[Zn]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OC)C)C)C=C)C
  CACTVS 3.385: CCC1=C(C)C2=Cc3n4[Zn][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
  CACTVS 3.385: CCC1=C(C)C2=Cc3n4[Zn][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=C)[CH](C)[CH]7CCC(=O)OC)C
• Formula: C36 H36 N4 O5 Zn
• Name: [methyl 9-ethenyl-14-ethyl-3-(3-methoxy-3-oxopropyl)-4,8,13,18-tetramethyl-20-oxophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]zinc
• PDB chain: 7unj Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7unj De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester matching geometry of purple bacterial special pair, SP1-ZnPPaM
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): W117 H121 M124 L125
• Binding residue (residue number reindexed from 1): W117 H121 M124 L125
• Annotation score: 1

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sun Nov 17 08:50:55 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 = '7unj', asym_id = 'A', bs = 'BS01', title = 'De novo designed chlorophyll dimer protein with ...try of purple bacterial special pair, SP1-ZnPPaM '

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7unj', asym_id='A', bs='BS01', title='De novo designed chlorophyll dimer protein with ...try of purple bacterial special pair, SP1-ZnPPaM ')

   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 = '0005975', uniprot = '', pdbid = '7unj', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0005975', uniprot='', pdbid='7unj', 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>