Structure of PDB 5inr Chain E Binding Site BS01

Receptor Information
>5inr Chain E (length=461) Species: 936140 (Companilactobacillus farciminis KCTC 3681 = DSM 20184) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CTSILVGKKASIDGSTLISRNDDGHEALDPQRFVVVNPEDQPRDYTSVIS
KVNVKLPDDPQRYTSIPNSILTNGIWPAAGINSSNVAMSATETITTNSRV
QGLDPFVENGLGEEDLVTVVLPYVKSAREGVKRLGSLLEEYGTYEPNGIS
FADNEEVWWLETIGGHHWAAVRIPDDAYVVAPNRMNIDQFDFDSDDTLCS
SDLKDLIDNNNLNPDFENYNLRHIFGSASIKDTVYNNPRTWYGQKFFSPD
DTADDPMEQDLPFICHANRKISVEDVKFVLSSHFENTKYDVYGSGSQSDK
TLFRPIGINRNHNVHILQIRNNVPTEIAGIHWLAYGANTFNTVVPFYANV
NDTPVQYKNATGKFDLNNMYWLSCTTALLGDTDYDFYVDMRNDYELDAMS
AYRKIQNDTDADISGQKDIEKYLENANKKLADVAFEKQNKLLGDMVTTGS
NNMKLRYNLND
Ligand information
Ligand IDALA
InChIInChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKeyQNAYBMKLOCPYGJ-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(=O)O)N
CACTVS 3.341C[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C
CACTVS 3.341C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)N
FormulaC3 H7 N O2
NameALANINE
ChEMBLCHEMBL279597
DrugBankDB00160
ZINCZINC000004658553
PDB chain5inr Chain E Residue 501 [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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PDB5inr A C69-family cysteine dipeptidase from Lactobacillus farciminis; substrate recognition mechanism and autoproteolytic mechanism in enzyme maturation
Resolution1.652 Å
Binding residue
(original residue number in PDB)		C9 T99 T101 E121
Binding residue
(residue number reindexed from 1)		C1 T91 T93 E113
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Fri Nov 22 15:25:48 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 = '5inr', asym_id = 'E', bs = 'BS01', title = 'A C69-family cysteine dipeptidase from Lactobaci...d autoproteolytic mechanism in enzyme maturation '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='5inr', asym_id='E', bs='BS01', title='A C69-family cysteine dipeptidase from Lactobaci...d autoproteolytic mechanism in enzyme maturation ')
   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 = '0006508,0016805,0070004', uniprot = '', pdbid = '5inr', asym_id = 'E'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0006508,0016805,0070004', uniprot='', pdbid='5inr', asym_id='E')
    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>