Structure of PDB 6qep Chain A Binding Site BS04

Receptor Information

>6qep Chain A (length=1341) Species: 216816 (Bifidobacterium longum)

VASETLKTKKMEVQIKKNFPSVLQYTMTDGKVMYGQSKDVRTVEINGTNI
ELGDDDVTFKKVSDTEATYTLKVKDEAKKIDAVITVQITVKANQLHLNVT
KIKNNLSEGIPEGNGVEENAIQTLSFPNQSLVSVRSSQENAQFTGARMSS
NTQKPGDTNFAVTEDTNVTDSDYTYGFISGAGLSAGLWSNSEHDGTYVAA
PVRGGSQNTRVYATTQQTGDATSLGLASAPWYYHRTVTDSKGKKYTVAET
ALPQMAVAIAGDENEDGAVNWQDGAIAYRDIMNNPYKSEEVPELVAWRIA
MNFGSQAQNPFLTTLDNVKKVALNTDGLGQSVLLKGYGNEGHDSGHPDYG
DIGQRLGGADDMNTMMEEGSKYGARFGVHVNASEMYPEAKAFSEDMVRRN
SAGGLSYGWNWLDQGVGIDGIYDLASGSRVSRFADLSKEVGDNMDFIYLD
VWGNLTSSGSEDSWETRKMSKMINDNGWRMTTEWGSGNEYDSTFQHWAAD
LTYGGYTSKGENSEVMRFLRNHQKDSWVGDYPQYGGAANAPLLGGYNMKD
FEGWQGRNDYAAYIKNLYTHDVSTKFIQHFKVTRWVNNPLLTADNGNAAA
VSDPNTNNGNEQITLKDSNGNVVVVSRGSNDTSSAAYRQRTITFNGVKVA
SGVVSAGDGSATGDESYLLPWMWDSFTGKLVKDSEQKLYHWNTKGGTTTW
TLPDSWKNLSSVKVYQLTDQGKTNEQTVAVSGGKVTLTADAETPYVVYKG
EAKQIQVNWSEGMHVVDAGFNGGSNTLTDNWTVSGSGKAEVEGDNNAMLR
LTGKVDVSQRLTDLKAGQKYALYVGVDNRSTGDASVTVTSGGKVLATNST
GKSIAKNYIKAYGHNTNSNTENGSSYFQNMYVFFTAPENGDATVTLSHKS
TDGAHTYFDDVRIVENQYSGITYEKDGTLKSLTNGFENNAQGIWPFVVSG
SEGVEDNRIHLSELHAPFTRAGWDVKKMDDVLDGTWSVKVNGLTQKGTLV
YQTIPQNVKFEAGAKYKVSFDYQSGSDDIYAIAVGQGEYSAGSVKLTNLK
KALGETGKAEFELTGGVNGDSWFGIYSTATAPDLQGSTGNAQDFGGYKDF
VLDNLKIERIESQTRTKAEAQDKVKEIRGKYDSKRAELSDAAWQQYQDTL
VKARVLINKNGATAEDFTKAYDILVALDEYMKLKDLDRKLLEAARAGQDD
EVRILMANGADVNATDIHGHTPLHLAAAMGHLEIVEVLLKNGADVNANDW
RGFTPLHLAALNGHLEIVEVLLKNGADVNATDTAGNTPLHLAAWFGHLEI
VEVLLKNGADVNAQDKFGKTAFDISIDNGNEDLAEILQKLG

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 6qep Chain A Residue 1706

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6qep Structural analysis of biological targets by host:guest crystal lattice engineering.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): G1108 N1135 A1136 D1248
• Binding residue (residue number reindexed from 1): G769 N796 A797 D909
• Annotation score: 4

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sun Dec 1 11:39:29 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 = '6qep', asym_id = 'A', bs = 'BS04', title = 'Structural analysis of biological targets by host:guest crystal lattice engineering.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6qep', asym_id='A', bs='BS04', title='Structural analysis of biological targets by host:guest crystal lattice engineering.')

   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 = '0030246,0033926', uniprot = '', pdbid = '6qep', asym_id = 'A'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0030246,0033926', uniprot='', pdbid='6qep', 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>