Structure of PDB 7nkg Chain A Binding Site BS03

Receptor Information
>7nkg Chain A (length=564) Species: 1122233 (Methermicoccus shengliensis DSM 18856) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DREQLFKKALEIKFTQEWGENKATEVSTDITSKKAKYLRLGTAQSPRKRE
FEQYGKEIAAKRGLPGYDPKLHLGGIPLGQRQITPYVVSSTDTLCDGDDL
HFVNNAAMQQMWDDIRRTVIVGMDLAHETLEKRLGKEVTPETINHYLEVL
NHAMPGAAVVQEMMVETHPGLVDDCYVKVFTGDDELADEIDKRFLIDIDK
QFGEEKAAQIKAAIGKTTWQAVHVPTIVVRTCDGATTSRWTAMQIGMSFI
AAYRMCAGEAAVADLAYAAKHAALVGMGDMLPARRARGPNEPGGLQFGYL
ADIVQADRVTDDKVKASLEVVAAGAMLYDQIWLGSYMSGGVGFTQYATAA
YTNNILDDFSYYGYEYAVDKYGGPAQAPATLETVKDIATETAIYAIEQYE
YFPTLLEDQFGGSQRAAVVAAAAGIATGLATGNSQAGLSGWYLAQYLLKE
AEGRLGFFGYDLQDQCGAANVFSYQSDEGLPLELRGPNYPNYAMNVGHQG
EYAGIASSGHIGRGDAFVVNPLVKVAFADPLLNFDFTQVRKEFAKGAVRE
FDRCAGERALILPA
Ligand information
Ligand IDTP7
InChIInChI=1S/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t8-,10+/m1/s1
InChIKeyJBJSVEVEEGOEBZ-SCZZXKLOSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O
OpenEye OEToolkits 1.7.6CC(C(C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O
CACTVS 3.385C[C@@H](O[P](O)(O)=O)[C@H](NC(=O)CCCCCCS)C(O)=O
CACTVS 3.385C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCCCS)C(O)=O
FormulaC11 H22 N O7 P S
NameCoenzyme B;
7-MERCAPTOHEPTANOYLTHREONINEPHOSPHATE
ChEMBL
DrugBank
ZINCZINC000003869535
PDB chain7nkg Chain A Residue 605 [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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PDB7nkg Structural Insights into the Methane-Generating Enzyme from a Methoxydotrophic Methanogen Reveal a Restrained Gallery of Post-Translational Modifications.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		R243 K274 H275
Binding residue
(residue number reindexed from 1)		R239 K270 H271
Annotation score3
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 16 01:48:39 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 = '7nkg', asym_id = 'A', bs = 'BS03', title = 'Structural Insights into the Methane-Generating ...ned Gallery of Post-Translational Modifications. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7nkg', asym_id='A', bs='BS03', title='Structural Insights into the Methane-Generating ...ned Gallery of Post-Translational Modifications. ')
   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 = '0015948,0050524', uniprot = '', pdbid = '7nkg', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0015948,0050524', uniprot='', pdbid='7nkg', 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>