Structure of PDB 4n8y Chain B Binding Site BS01

Receptor Information
>4n8y Chain B (length=300) Species: 288000 (Bradyrhizobium sp. BTAi1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RDFRSADVHPADYPTVEAVKFMGKQLAAASGGKLGVKVFPNGALGSEKDT
IEQLKIGALDMMRINSSPLNNFVPETVALCLPFVFRDTQHMRNVLDGPIG
DEILAAMEPAGLVGLAYYDSGARSIYTVKAPVKSLADLKGLKIRVQQSDL
WVGMIQSLGANPTPMPYGEVYTALKTGLVDAAENNWPSYESSRHFEAAKF
YNITEHSLAPEVLVMSKKVWDTLSKEDQALVRKAAKDSVPVMRKLWDERE
QASRKAVEAAGVQVVTVANKQEFVDAMKPVYQKFAGDEKLSSLVKRIQDT
Ligand information
Ligand IDADA
InChIInChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1
InChIKeyAEMOLEFTQBMNLQ-BKBMJHBISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1O)O)C(=O)O)O)O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
CACTVS 3.341O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
ACDLabs 10.04O=C(O)C1OC(O)C(O)C(O)C1O
OpenEye OEToolkits 1.5.0[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O
FormulaC6 H10 O7
Namealpha-D-galactopyranuronic acid;
alpha-D-galacturonic acid;
D-galacturonic acid;
galacturonic acid;
ALPHA D-GALACTURONIC ACID
ChEMBL
DrugBankDB03511
ZINCZINC000004228259
PDB chain4n8y Chain B Residue 401 [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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PDB4n8y Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		H31 E69 R85 R145 R166 Q168 Y189 N206 S210 E233
Binding residue
(residue number reindexed from 1)		H9 E47 R63 R123 R144 Q146 Y167 N184 S188 E211
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 00:39:42 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 = '4n8y', asym_id = 'B', bs = 'BS01', title = 'Experimental strategies for functional annotatio...ng proteins and unbiased panning of metabolomes. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4n8y', asym_id='B', bs='BS01', title='Experimental strategies for functional annotatio...ng proteins and unbiased panning of metabolomes. ')
   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 = '0030288,0055085', uniprot = '', pdbid = '4n8y', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0030288,0055085', uniprot='', pdbid='4n8y', 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>