Structure of PDB 7eii Chain B Binding Site BS02

Receptor Information
>7eii Chain B (length=584) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKNTPLNSGKHPDLKIEVAIIGAGTSGLYTAYRLVTDKKFKAHDVQIFDM
NNKLGGRLESVIMPGMNFWGELGGMRYLTSQQIVTTLIEGYPLSEKDPNK
RTPVLKDKMTPVPFPMGDPSKLLMYLRKERFKQNAWNEAQKKGEKLPTRY
YLNENDLGFSSDQLFNKIIYDVLMADPWVAETYGSKIIKGSSVYDYSFKL
TSRDWDDIKPKLVYNFPNSPYDQRKVNDIGFWNLIKDQVSQEGYEFLANA
GGYYSNTINWNSAEAFPYMVGSAGTIYKTIEEGYDSIAYAVANSYMEHEG
ACIWSENKLLTFTKDHPLTNTHKYELTFLNLKTNTQWKVYANSIVLAMPR
KSLELLDQNNFFFNINKNSVLNNNIRSVIMEPAFAILMGFEYPWWKELGI
DSGHSITDLPMRQCYYFGTDPETNNSMLLGSYGDMETETFWKALSDDKVL
FEVKAAKSASLRELHQLDDVQATKLMVGELMNQLRELHGDTVTIPEPYVT
YFKDWTDEPFGAGYHAWKAGFSVENVMPYMRKPLTDEQIHICGEAYSDQQ
GWVEGAFCEAEKMLQEYFGLDRPYWLSPDYYLGW
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 chain7eii Chain B Residue 602 [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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PDB7eii Catalytic mechanism of ancestral L-lysine oxidase assigned by sequence data mining.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		I21 G22 T25 S26 D49 M50 G56 R57 G73 G74 M75 R76 Y286 K310 L311 M350 S354 Y434 W507 P511 F512 G515 Y516 G545 E546 G553 W554 V555 A558
Binding residue
(residue number reindexed from 1)		I21 G22 T25 S26 D49 M50 G56 R57 G73 G74 M75 R76 Y284 K308 L309 M348 S352 Y432 W505 P509 F510 G513 Y514 G543 E544 G551 W552 V553 A556
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Nov 26 13:23:50 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 = '7eii', asym_id = 'B', bs = 'BS02', title = 'Catalytic mechanism of ancestral L-lysine oxidase assigned by sequence data mining.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7eii', asym_id='B', bs='BS02', title='Catalytic mechanism of ancestral L-lysine oxidase assigned by sequence data mining.')
   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 = '7eii', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491', uniprot='', pdbid='7eii', 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>