Structure of PDB 6hqh Chain A Binding Site BS01

Receptor Information
>6hqh Chain A (length=242) Species: 358 (Agrobacterium tumefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNPLGLIDPTTISVGTMGDAKPYAFTTADGNFTGFDIELFLNVAGRLGFK
KEQVVFTGQEFSALMPSVANGRFDVAAAAIGTTAKRKETVDFSDGYLAGF
LSVLTSEAGITDAAGLKGKRLGVVQGTLQEIYAEKNFAGTDLVKFPDNNS
AVSALNNGTVDAHFLDFEAAKDYSARYPALKIAVNIPSFDAPAGFVIRKG
NDALRNALDKGLKEAMQDGTWKKLHEKWFPGTPMPAAYLPKQ
Ligand information
Ligand IDSNW
InChIInChI=1S/C11H20N2O8/c12-7(15)2-1-5(10(18)19)13-4-11(20)9(17)8(16)6(14)3-21-11/h5-6,8-9,13-14,16-17,20H,1-4H2,(H2,12,15)(H,18,19)/t5-,6+,8+,9-,11+/m0/s1
InChIKeySNIATPDKUZZXAT-VISRLPHGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC(=O)CC[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(O)=O
CACTVS 3.385NC(=O)CC[CH](NC[C]1(O)OC[CH](O)[CH](O)[CH]1O)C(O)=O
OpenEye OEToolkits 2.0.5C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCC(=O)N)C(=O)O)O)O)O)O
OpenEye OEToolkits 2.0.5C1C(C(C(C(O1)(CNC(CCC(=O)N)C(=O)O)O)O)O)O
FormulaC11 H20 N2 O8
NameDeoxyfructosylglutamine;
santhopine
ChEMBL
DrugBank
ZINCZINC000584905675
PDB chain6hqh Chain A Residue 301 [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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PDB6hqh Structural Basis for High Specificity of Amadori Compound and Mannopine Opine Binding in Bacterial Pathogens.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F96 A113 A114 G116 R121 A133 G134 T162 L163 D201 S223 A226
Binding residue
(residue number reindexed from 1)		F61 A78 A79 G81 R86 A98 G99 T127 L128 D166 S188 A191
Annotation score1
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Nov 28 19:38:29 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 = '6hqh', asym_id = 'A', bs = 'BS01', title = 'Structural Basis for High Specificity of Amadori...d Mannopine Opine Binding in Bacterial Pathogens.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6hqh', asym_id='A', bs='BS01', title='Structural Basis for High Specificity of Amadori...d Mannopine Opine Binding in Bacterial Pathogens.')
   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 = '0015276,0016020', uniprot = '', pdbid = '6hqh', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0015276,0016020', uniprot='', pdbid='6hqh', 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>