Structure of PDB 3qi8 Chain B

Receptor sequence

>3qi8B (length=452) Species: 1404 (Priestia megaterium)

TIKEMPQPKTFGELKNLPLLNTDKPVQALMKIADELGEIFKFEAPGRVTR
YISSQRLVKEACDESRFDKNLSQARKFVRDFAGDGLATSWTHEKNWKKAR
NILLPRLSQQAMKGYHAMMVDIAVQLVQKWERLNSDEHIEVPEDMTRLTL
DTIGLCGFNYRINSFYRDQPHPFITSMVRALDEVMNKLQRANPDDPAYDE
NKRQFQEDIKVMNDLVDKIIADRKADDLLTHMLHGKDGEPLDDENIRYQI
ITFLIAGHETTSGLLTFALYFLVKNPHVLQKAAEEAARVLVDPVPSYKQV
KQLKYVGMVLNEALRIWPTAPAFSLYAKEDTMLGGEYPLEKGDELMVLIP
QLHRDKTVWGDDVEEFRPERFENPSAIPQHAFKPFGNGQRACIGQQFALH
EATLVLGMMLKHFDFEDHTNYELDIEETLTLKPKGFVIKAKSKKIPLGGI
PS

3D structure

• PDB: 3qi8 Engineered Bacterial Mimics of Human Drug Metabolizing Enzyme CYP2C9
• Chain: B
• Resolution: 3.2 Å

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	HEM	B	K69 R75 L86 R100 A264 G265 T268 L322 A328 F331 P392 F393 G394 R398 C400 I401 G402 F405 A406	K69 R75 L86 R100 A256 G257 T260 L314 A320 F323 P384 F385 G386 R390 C392 I393 G394 F397 A398

Gene Ontology

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UnboundLocalError

Python 3.6.8: /usr/bin/python3 Sat Feb 22 00:32:13 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>()

   1443                 pubmed=display_regular_ligand(pdbid,asym_id,lig3,ligIdx,title)

   1444         else:

=> 1445             pubmed,uniprot=display_protein_receptor(pdbid,asym_id,title)

   1446     

   1447     uniprot_line=''

pubmed = '', uniprot = '', display_protein_receptor = <function display_protein_receptor>, pdbid = '3qi8', asym_id = 'B', title = 'Engineered Bacterial Mimics of Human Drug Metabolizing Enzyme CYP2C9'

 /var/www/html/BioLiP/pdb.cgi in display_protein_receptor(pdbid='3qi8', asym_id='B', title='Engineered Bacterial Mimics of Human Drug Metabolizing Enzyme CYP2C9')

    839 

    840     if go:

=>  841         display_go(go,uniprot,pdbid,asym_id)

    842     return pubmed,uniprot

    843 

global display_go = <function display_go>, go = '0004497,0005506,0016705,0020037', uniprot = '', pdbid = '3qi8', asym_id = 'B'

 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004497,0005506,0016705,0020037', uniprot='', pdbid='3qi8', asym_id='B')

    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>