Structure of PDB 7eih Chain B Binding Site BS01

Receptor Information
>7eih Chain B (length=586) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNKNTPLNSGKHPDLKIEVAIIGAGTSGLYTAYRLVTDKKFKAHDVQIFD
MNNKLGGRLESVIMPGMNFWGELGGMRYLTSQQIVTTLIEGYPLSEKDPN
KRTPVLKDKMTPVPFPMGDPSKLLMYLRKERFKQNAWNEAQKKGEKLPTR
YYLNENDLGFSSDQLFNKIIYDVLMADPWVAETYGSKIIKGSSVYDYSFK
LTSRDWDDIKPKLVYNFPNSPYDQRKVNDIGFWNLIKDQVSQEGYEFLAN
AGGYYSNTINWNSAEAFPYMVGSAGTIYKTIEEGYDSIAYAVANSYMEHE
GACIWSENKLLTFTKDHPLTNTHKYELTFLNLKTNTQWKVYANSIVLAMP
RKSLELLDQNNFFFNINKNSVLNNNIRSVIMEPAFKILMGFEYPWWKELG
IDSGHSITDLPMRQCYYFGTDPETNNSMLLGSYGDMETETFWKALSDDKV
LFEVKAAKSASLRELHQLDDVQATKLMVGELMNQLRELHGDTVTIPEPYV
TYFKDWTDEPFGAGYHAWKAGFSVENVMPYMRKPLTDEQIHICGEAYSDQ
QGWVEGAFCEAEKMLQEYFGLDRPYWLSPDYYLGWE
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 chain7eih Chain B 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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PDB7eih Catalytic mechanism of ancestral L-lysine oxidase assigned by sequence data mining.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		I21 G22 T25 S26 D49 M50 G56 R57 L58 G73 G74 M75 R76 Y254 Y286 K310 L311 S354 W507 P511 F512 G515 G545 E546 G553 W554 V555
Binding residue
(residue number reindexed from 1)		I22 G23 T26 S27 D50 M51 G57 R58 L59 G74 G75 M76 R77 Y255 Y285 K309 L310 S353 W506 P510 F511 G514 G544 E545 G552 W553 V554
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Sat Nov 23 03:42:56 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 = '7eih', asym_id = 'B', 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='7eih', asym_id='B', 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 = '7eih', asym_id = 'B'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0016491', uniprot='', pdbid='7eih', 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>