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BioLiP

Structure of PDB 6rka Chain D Binding Site BS01

Receptor Information
>6rka Chain D (length=362) Species: 519849 (Ureaplasma urealyticum serovar 7 str. ATCC 27819) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKIITSESVGAGHPDKICDQISDAILDECLSQDQNSRVACEVLACNRLIV
IAGEITTHAYVDVVKTAWEIIKPLGYDENDFTIISNVNKQSVDINLIGAG
DQGIVFGYACDETPQYMPLTSVLAHELLKEIERQRRSKEFIKIQADMKSQ
VSIDYSNSTPLIETMLVSIQHDEDYDVEYFNKKVSAIMEQIAKKYNLNTN
FKKIINSSGRFVIGGPIGDTGLTGRKIIVDTYGGVGHHGGGAFSGKDPTK
VDRSASYFARWIAKNVVAAKLAKQCEIQLAFAIGQPQPVAMYVNTFNTNL
IDETKIFEAIKKSFNFDIKTFINDLNLWTTKYLPVATYGHFGRDDLDLSW
EKLNKVEDLIKN
Ligand information
Ligand IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain6rka Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6rka The interdimeric interface controls function and stability of Ureaplasma urealiticum methionine S-adenosyltransferase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)
H16 P17 D158 K160 S220 F223 D231
Binding residue
(residue number reindexed from 1)
H13 P14 D146 K148 S208 F211 D219
Annotation score5
Gene Ontology
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UnboundLocalError
Python 3.6.8: /usr/bin/python3
Tue May 20 10:31:25 2025

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/BioLiP2/pdb.cgi in <module>()
   1701     title=pdb2title(pdbid)
   1702     if bs.startswith("BS"):
=> 1703         pubmed,uniprot=display_interaction(pdbid,asym_id,bs,title)
   1704     else:
   1705         if lig3:
pubmed = '', uniprot = '', display_interaction = <function display_interaction>, pdbid = '6rka', asym_id = 'D', bs = 'BS01', title = 'The interdimeric interface controls function and...sma urealiticum methionine S-adenosyltransferase.'
 /var/www/html/BioLiP2/pdb.cgi in display_interaction(pdbid='6rka', asym_id='D', bs='BS01', title='The interdimeric interface controls function and...sma urealiticum methionine S-adenosyltransferase.')
   1326         display_ec(ec,csaOrig,csaRenu)
   1327     if go:
=> 1328         display_go(go,uniprot,pdbid,asym_id)
   1329     return pubmed,uniprot
   1330 
global display_go = <function display_go>, go = '0004478,0005524,0006556', uniprot = '', pdbid = '6rka', asym_id = 'D'
 /var/www/html/BioLiP2/pdb.cgi in display_go(go='0004478,0005524,0006556', uniprot='', pdbid='6rka', asym_id='D')
    484         '''.replace("$namespace_link",namespace_link
    485           ).replace("$namespace",namespace
=>  486           ).replace("$uniprot",u
    487         ))
    488         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>