Structure of PDB 6szk Chain MMM Binding Site BS01

Receptor Information
>6szk Chain MMM (length=551) Species: 1268991 (Escherichia coli 908519) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQRITIDPVTRIEGHLRIDCEIENGVVSKAWASGTMWRGMEEIVKNRDPR
DAWMIVQRICGVCTTTHALSSVRAAESALNIDVPVNAQYIRNIILAAHTT
HDHIVHFYQLSALDWVDITSALQADPTKASEMLKGVSTWHLNSPEEFTKV
QNKIKDLVASGQLGIFANGYWGHPAMKLPPEVNLIAVAHYLQALECQRDA
NRVVALLGGKTPHIQNLAVGGVANPINLDGLGVLNLERLMYIKSFIDKLS
DFVEQVYKVDTAVIAAFYPEWLTRGKGAVNYLSVPEFPTDSKNGSFLFPG
GYIENADLSSYRPITSHSDEYLIKGIQESAKHSWYKDEAPQAPWEGTTIP
AYDGWSDDGKYSWVKSPTFYGKTVEVGPLANMLVKLAAGRESTQNKLNEI
VAIYQKLTGNTLEVAQLHSTLGRIIGRTVHCCELQDILQNQYSALITNIG
KGDHTTFVKPNIPATGEFKGVGFLEAPKGMLSHWMVIKDGIISNYQAVVP
STWNSGPRNFNDDVGPYEQSLVGTPVADPNKPLEVVRTIHSFDPCMACAV
H
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain6szk Chain TTT Residue 403 [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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PDB6szk Hydrogen activation by NiFe-hydrogenases - consolidating the role of the pendant arginine.
Resolution1.2 Å
Binding residue
(original residue number in PDB)		R59 H214
Binding residue
(residue number reindexed from 1)		R58 H213
Annotation score3
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 15 17:03:36 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 = '6szk', asym_id = 'MMM', bs = 'BS01', title = 'Hydrogen activation by NiFe-hydrogenases - consolidating the role of the pendant arginine.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6szk', asym_id='MMM', bs='BS01', title='Hydrogen activation by NiFe-hydrogenases - consolidating the role of the pendant arginine.')
   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 = '0008901,0016151', uniprot = '', pdbid = '6szk', asym_id = 'MMM'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0008901,0016151', uniprot='', pdbid='6szk', asym_id='MMM')
    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>