Structure of PDB 7al4 Chain C Binding Site BS01

Receptor Information
>7al4 Chain C (length=520) Species: 9685 (Felis catus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKRVAIVGAGVSGLASIKCCLEEGLEPTCFERSDDLGGLWRFTEHVEEGR
ASLYKSVVSNSCKEMSCYSDFPFPEDYPNYVPNSQFLEYLKMYANRFNLL
KHIQFKTKVCSVTKCPDFTVTGQWEVVTQHEGKQESAIFDAVMVCTGFLT
DPYLPLDSFPGINTFKGQYFHSRQYKHPDIFKDKRVLVVGMGNSGTDIAV
EASHLAKKVFLSTTGGAWVMSRVFDSGYPWDMVFTTRFQNMLRNSLPTPI
VTWLMARKMNSWFNHANYGLVPEDRTQLREPVLNDELPGCIITGKVLIKP
SIKEVKENSVIFNNTPKEEPIDIIVFATGYTFAFPFLDESVVENGQASLY
KYIFPAHLPKPTVIGLIKPLGSIIPTGETQARWAVRVLKGINKLPPQSVM
IEEVNARKENKPSGFGLCYCKALQSDYITYIDELLTYINAKPNLLSMLLT
DPRLALTIFFGPCTPYQFRLTGPGKWEGARNAILTQWDRTFKVTKTRIVQ
ESPSPFASLLKLLSLPVLLL
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 chain7al4 Chain C Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7al4 Ancestral reconstruction of mammalian FMO1 enables structural determination, revealing unique features that explain its catalytic properties.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		G9 G11 V12 S13 F31 E32 R33 G39 L40 W41 R51 V58 S60 N61 S62 V110 T147 S377 I378
Binding residue
(residue number reindexed from 1)		G8 G10 V11 S12 F30 E31 R32 G38 L39 W40 R50 V57 S59 N60 S61 V109 T146 S372 I373
Annotation score2
Gene Ontology
--> -->
 
 
UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Nov 26 13:22:18 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 = '7al4', asym_id = 'C', bs = 'BS01', title = 'Ancestral reconstruction of mammalian FMO1 enabl... features that explain its catalytic properties. '
 /var/www/html/BioLiP/pdb.cgi in display_interaction(pdbid='7al4', asym_id='C', bs='BS01', title='Ancestral reconstruction of mammalian FMO1 enabl... features that explain its catalytic properties. ')
   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 = '0004499,0050660,0050661', uniprot = '', pdbid = '7al4', asym_id = 'C'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004499,0050660,0050661', uniprot='', pdbid='7al4', asym_id='C')
    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>