Structure of PDB 7eij Chain A Binding Site BS01

Receptor Information
>7eij Chain A (length=586) 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
GGYYSNTINWNSAEAFPYMVGDFSAGTIYKTIEEGYDSIAYAVANSYMEH
EGACIWSENKLLTFTKDHPLTNTHKYELTFLNLKTNTQWKVYANSIVLAM
PRKSLELLDQNNFFFNINKNSVLNNNIRSVIMEPAFAILMGFEYPWWKEL
GIDSGHSITDLPMRQCYYFGTDPETNNSMLLGSYGDMETETFWKALSDDK
VLFEVKAAKSASLRELHQLDDVQATKLMVGELMNQLRELHGDTVTIPEPY
VTYFKDWTDEPFGAGYHAWKAGFSVENVMPYMRKPLTDEQIHICGEAYSD
QQGWVEGAFCEAEKMLQEYFGLDRPYWLSPDYYLGW
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 chain7eij Chain A Residue 601 [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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PDB7eij Catalytic mechanism of ancestral L-lysine oxidase assigned by sequence data mining.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		I21 G22 S26 D49 M50 G56 R57 G73 G74 M75 R76 Y286 L311 M350 S354 W507 P511 F512 G515 G545 E546 G553 W554 V555 A558
Binding residue
(residue number reindexed from 1)		I21 G22 S26 D49 M50 G56 R57 G73 G74 M75 R76 Y286 L311 M350 S354 W507 P511 F512 G515 G545 E546 G553 W554 V555 A558
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 23 04:01:45 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 = '7eij', asym_id = 'A', bs = 'BS01', title = 'Catalytic mechanism of ancestral L-lysine oxidase assigned by sequence data mining.'
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7eij', asym_id='A', bs='BS01', 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 = '7eij', asym_id = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491', uniprot='', pdbid='7eij', 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>