Structure of PDB 7al4 Chain A Binding Site BS02

Receptor Information
>7al4 Chain A (length=517) 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
SIKEVKENSVIFNNTPKEEPIDIIVFATGYTFAFPFLDESVVKVENGQAS
LYKYIFPAHLPKPTLAVIGLIKPLGSIIPTGETQARWAVRVLKGINKLPP
QSVMIEEVNARKENKPSGFGLCYCKALQSDYITYIDELLTYINAKPNLLS
MLLTDPRLALTIFFGPCTPYQFRLTGPGKWEGARNAILTQWDRTFKVTKT
RIVQESPSPFASLLKLL
Ligand information
Ligand IDNAP
InChIInChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKeyXJLXINKUBYWONI-NNYOXOHSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
FormulaC21 H28 N7 O17 P3
NameNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE;
2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
ChEMBLCHEMBL295069
DrugBankDB03461
ZINC
PDB chain7al4 Chain A 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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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)		Y55 V59 N61 F160 G193 N194 S195 T214 T215 R280 E281 A328 T329 G330
Binding residue
(residue number reindexed from 1)		Y54 V58 N60 F159 G192 N193 S194 T213 T214 R279 E280 A327 T328 G329
Annotation score4
Gene Ontology
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UnboundLocalError		Python 3.6.8: /usr/bin/python3
Tue Nov 26 21:06:22 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 = 'A', bs = 'BS02', 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='A', bs='BS02', 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 = 'A'
 /var/www/html/BioLiP/pdb.cgi in display_go(go='0004499,0050660,0050661', uniprot='', pdbid='7al4', 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>