Structure of PDB 6rka Chain B Binding Site BS02

Receptor Information
>6rka Chain B (length=360) 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
IAGEITTHAYVDVVKTAWEIIKPLGYDENDFTIISNVNKQSVNLIGAGDQ
GIVFGYACDETPQYMPLTSVLAHELLKEIERQRRSKEFIKIQADMKSQVS
IDYSNSTPLIETMLVSIQHDEDYDVEYFNKKVSAIMEQIAKKYNLNTNFK
KIINSSGRFVIGGPIGDTGLTGRKIIVDTYGGVGHHGGGAFSGKDPTKVD
RSASYFARWIAKNVVAAKLAKQCEIQLAFAIGQPQPVAMYVNTFNTNLID
ETKIFEAIKKSFNFDIKTFINDLNLWTTKYLPVATYGHFGRDDLDLSWEK
LNKVEDLIKN
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 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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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 D144 K146 S206 F209 D217
Annotation score5
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Dec 19 00:58:52 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 = '6rka', asym_id = 'B', bs = 'BS02', title = 'The interdimeric interface controls function and...sma urealiticum methionine S-adenosyltransferase.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6rka', asym_id='B', bs='BS02', title='The interdimeric interface controls function and...sma urealiticum methionine S-adenosyltransferase.')
   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 = '0004478,0005524,0006556', uniprot = '', pdbid = '6rka', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004478,0005524,0006556', uniprot='', pdbid='6rka', 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>