Structure of PDB 8eem Chain B Binding Site BS01

Receptor Information
>8eem Chain B (length=437) Species: 1697 (Corynebacterium ammoniagenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVVIIGAGFAGLVAARELQTAGIEYEILEAKDRIGGRAWEERMGRPLGAT
WVHWFQAHTWTEIMRYGQRTEITASPSGNDAHWVTDGKVVKGTEDDLDEK
LTAAMGVTYEGSEEYFPNPHDPLWVLSDDFDGPAEVRERFLSDDQTNAID
LVKEAGFDQETIDLVDAFWCAGYIGDPYTGSALMAKQWGALSDNRYRVME
DITLKWKLNNGMRSLYDGIAGDLNTDIRLNTPVAKVEHHDNGATVTTESG
EVIEASAVICTVPVGALSNIEFSPALPDAVQSVIDDKWNSQGAKIWIKIK
GHHRFLGYAPKPAKMSVVRSEYFMDDDTTILVGFGYDNTNIDLNSIEDAQ
AVINQWRDDLEVVDTTGHNWVADKWAGQAWGTLRKGQFTQGWSLFDDIDS
QLFFAGSDYAYGWRGVCVDGALEKGMTTARQVINSMR
Ligand information
Ligand IDFAD
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain8eem Chain B 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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PDB8eem Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.
Resolution1.56 Å
Binding residue
(original residue number in PDB)		I9 G10 G12 A14 E33 A34 G40 R41 G55 A56 T57 W58 P239 V240 T268 V269 K301 W377 W382 A386 W387 G413 S414 V423 C424 V425 A428
Binding residue
(residue number reindexed from 1)		I5 G6 G8 A10 E29 A30 G36 R37 G48 A49 T50 W51 P232 V233 T261 V262 K294 W370 W375 A379 W380 G406 S407 V416 C417 V418 A421
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Nov 26 22:53:31 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 = '8eem', asym_id = 'B', bs = 'BS01', title = 'Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='8eem', asym_id='B', bs='BS01', title='Structural Insights into the Substrate Range of a Bacterial Monoamine Oxidase.')
   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 = '0016491', uniprot = '', pdbid = '8eem', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491', uniprot='', pdbid='8eem', 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>