Structure of PDB 4hjh Chain B Binding Site BS01

Receptor Information
>4hjh Chain B (length=464) Species: 224914 (Brucella melitensis bv. 1 str. 16M) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSLKFGTSGLRGLAVELNGLPAYAYTMAFVQMLAAKGQLQKGDKVFVGRD
LRPSSPDIAALAMGAIEDAGFTPVNCGVLPTPALSYYAMGAKAPSIMVTG
SHIPDDRNGLKFYRRDGEIDKDDEAAISAAYRKLPAILAARKHVGTDAAL
QAYADRYAGFLGKGSLNGLRVGVYQHSSVARDLLMYLLTTLGVEPVALGR
SDIFVPVDTEALRPEDIALLAQWGKSDRLDAIVSTDGDADRPLIADEHGQ
FVRGDLAGAITATWVGADTLVTPVTSNTALESRFPKVLRTRVGSPYVIAS
MAQVGPVIGFEANGGVLLGSTVERNGRSLTALPTRDALLPILACLATVHE
KKTPLSTIARSYGFRVALSDRLQNIPQEASTAFLALLEDADKRASLFPAG
DAIVRVETIDGVKLFFQSGNAVHYRASGNAPELRCYVESSDDTQAAKLQA
LGLEIARKALKDAT
Ligand information
Ligand IDG6Q
InChIInChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
InChIKeyVFRROHXSMXFLSN-SLPGGIOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)C(O)C=O
OpenEye OEToolkits 1.5.0C(C(C(C(C(C=O)O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C=O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C=O
FormulaC6 H13 O9 P
NameGLUCOSE-6-PHOSPHATE
ChEMBL
DrugBankDB03581
ZINCZINC000019850142
PDB chain4hjh Chain B Residue 533 [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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PDB4hjh Iodide SAD phased crystal structure of a phosphoglucomutase from Brucella melitensis complexed with glucose-6-phosphate
Resolution2.1 Å
Binding residue
(original residue number in PDB)		T10 S11 R14 S104 H105 E216 R247 V298 E322 N324 R346 R436 S438 N440 R445
Binding residue
(residue number reindexed from 1)		T7 S8 R11 S101 H102 E210 R241 V292 E311 N313 R335 R425 S427 N429 R434
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 15:12:55 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 = '4hjh', asym_id = 'B', bs = 'BS01', title = 'Iodide SAD phased crystal structure of a phospho...lla melitensis complexed with glucose-6-phosphate'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='4hjh', asym_id='B', bs='BS01', title='Iodide SAD phased crystal structure of a phospho...lla melitensis complexed with glucose-6-phosphate')
   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 = '0000287,0005975,0016868', uniprot = '', pdbid = '4hjh', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0000287,0005975,0016868', uniprot='', pdbid='4hjh', 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>