Structure of PDB 7nkg Chain A Binding Site BS02

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 604 [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)		R288 M341 F347 F461 M498 N499 V500
Binding residue
(residue number reindexed from 1)		R284 M337 F343 F457 M494 N495 V496
Annotation score3
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Thu Apr 17 23:11:54 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/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 = 'BS02', 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='BS02', 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>