Structure of PDB 7sut Chain C Binding Site BS01

Receptor Information
>7sut Chain C (length=63) Species: 464988 (Hemiselmis andersenii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRAPIITVFDARGCREHKNREYKGPKTGTQDDEMCVKVQYEKIAACEDTA
FIVLKECLSEMKS
Ligand information
Ligand IDX2I
InChIInChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h8,14,26,34-35H,2,7,9-13,15H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b27-14-/t26-/m1/s1
InChIKeyVPVJAAZCMDJQMG-WLUDIELQSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CCc1c(C)c(/C=C2\NC(=O)C(C)=C2CC)[NH]c1Cc1[NH]c(CC2NC(=O)C(C=C)=C2C)c(C)c1CCC(=O)O
CACTVS 3.385CCC1=C(C)C(=O)N\C1=C/c2[nH]c(Cc3[nH]c(C[C@H]4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
OpenEye OEToolkits 2.0.7CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C
OpenEye OEToolkits 2.0.7CCC\1=C(C(=O)N/C1=C\c2c(c(c([nH]2)Cc3c(c(c([nH]3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C
CACTVS 3.385CCC1=C(C)C(=O)NC1=Cc2[nH]c(Cc3[nH]c(C[CH]4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C
FormulaC33 H40 N4 O6
Name(15,16)-DIHYDROBILIVERDIN (SINGLY LINKED);
3-(2-{[3-(2-carboxyethyl)-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-[(Z)-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid
ChEMBL
DrugBank
ZINC
PDB chain7sut Chain C Residue 101 [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]
PDB7sut MX2: a high-flux undulator microfocus beamline serving both the chemical and macromolecular crystallography communities at the Australian Synchrotron.
Resolution1.49 Å
Binding residue
(original residue number in PDB)		F14 C19 E21 H22 N24 E26 Y27 D37 E38 M39 C40 K42
Binding residue
(residue number reindexed from 1)		F9 C14 E16 H17 N19 E21 Y22 D32 E33 M34 C35 K37
Annotation score1
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 23:18:40 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 = '7sut', asym_id = 'C', bs = 'BS01', title = 'MX2: a high-flux undulator microfocus beamline s...raphy communities at the Australian Synchrotron. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7sut', asym_id='C', bs='BS01', title='MX2: a high-flux undulator microfocus beamline s...raphy communities at the Australian Synchrotron. ')
   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 = '0030089', uniprot = '', pdbid = '7sut', asym_id = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0030089', uniprot='', pdbid='7sut', 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>