Structure of PDB 6qfk Chain A Binding Site BS03

Receptor Information

>6qfk Chain A (length=1347) Species: 216816 (Bifidobacterium longum)

SMVACETLKTKKMEVQIKKNFPSVLQYTMTDGKVMYGQSKDVRTVEINGT
NIELGDDDVTFKKVSDTEATYTLKVKDEAKKIDAVITVQITVKANQLHLN
VTKIKNNLSEGIPEGNGVEENAIQTLSFPNQSLVSVRSSQENAQFTGARM
SSNTQKPGDTNFAVTEDTNVTDSDYTYGFISGAGLSAGLWSNSEHDGTYV
AAPVRGGSQNTRVYATTQQTGDATSLGLASAPWYYHRTVTDSKGKKYTVA
ETALPQMAVAIAGDENEDGAVNWQDGAIAYRDIMNNPYKSEEVPELVAWR
IAMNFGSQAQNPFLTTLDNVKKVALNTDGLGQSVLLKGYGNEGHDSGHPD
YGDIGQRLGGADDMNTMMEEGSKYGARFGVHVNASEMYPEAKAFSEDMVR
RNSAGGLSYGWNWLDQGVGIDGIYDLASGSRVSRFADLSKEVGDNMDFIY
LDVWGNLTSSGSEDSWETRKMSKMINDNGWRMTTEWGSGNEYDSTFQHWA
ADLTYGGYTSKGENSEVMRFLRNHQKDSWVGDYPQYGGAANAPLLGGYNM
KDFEGWQGRNDYAAYIKNLYTHDVSTKFIQHFKVTRWVNNPLLTADNGNA
AAVSDPNTNNGNEQITLKDSNGNVVVVSRGSNDTSSAAYRQRTITFNGVK
VASGVVSAGDGSATGDESYLLPWMWDSFTGKLVKDSEQKLYHWNTKGGTT
TWTLPDSWKNLSSVKVYQLTDQGKTNEQTVAVSGGKVTLTADAETPYVVY
KGEAKQIQVNWSEGMHVVDAGFNGGSNTLTDNWTVSGSGKAEVEGDNNAM
LRLTGKVDVSQRLTDLKAGQKYALYVGVDNRSTGDASVTVTSGGKVLATN
STGKSIAKNYIKAYGHNTNSNTENGSSYFQNMYVFFTAPENGDATVTLSH
KSTDGAHTYFDDVRIVENQYSGITYEKDGTLKSLTNGFENNAQGIWPFVV
SGSEGVEDNRIHLSELHAPFTRAGWDVKKMDDVLDGTWSVKVNGLTQKGT
LVYQTIPQNVKFEAGAKYKVSFDYQSGSDDIYAIAVGQGEYSAGSVKLTN
LKKALGETGKAEFELTGGVNGDSWFGIYSTATAPDLQGSTGNAQDFGGYK
DFVLDNLKIERIESQTRTKAEAQDKVKEIRGKYDSKRAELSDAAWQQYQD
TLVKARVLINKNGATAEDFTKAYDILVALDEYMKLKDLDRKLLEAARAGQ
DDEVRILMANGADVNADDNTGETPLHLAAYEGHLEIVEVLLKTGADVNAE
DMMGFTPLHLAAAWGHLEIVEVLLKHGADVNAQDNQGVTPLHLAAYEGHL
EFVEVLLKHGADVNAQDCFGKTPFDLAIDNGNEDIAEVLQKAAKLGS

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: 6qfk Chain A Residue 1702

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6qfk Structural analysis of biological targets by host:guest crystal lattice engineering.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): E727 D752 H1299
• Binding residue (residue number reindexed from 1): E390 D415 H962
• Annotation score: 4

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Fri Nov 15 15:15:57 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 = '6qfk', asym_id = 'A', bs = 'BS03', title = 'Structural analysis of biological targets by host:guest crystal lattice engineering.'

 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='6qfk', asym_id='A', bs='BS03', 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 = '6qfk', asym_id = 'A'

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