Structure of PDB 5fjn Chain A Binding Site BS01

Receptor Information
>5fjn Chain A (length=447) Species: 184072 (Proteus myxofaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVRRDGKFVESKSRALFVESTEGALPSESDVVIIGGGIQGIMTAINLAER
GMSVTILEKGEVAGEQSGRAYSQIISYQTSPEIFPLHHYGKILWRGMNEK
IGADTSYRTQGRVEALADEKALDRAQEWIKTAKETAGFDVPLNTRIIKGE
ELSNRLVGAQTPWTVAAFEEDSGSVDPETGTPTLARYAKQIGVKIYTHCA
VRGIETAGGKISDVVTEKGAIRTSNVVLAGGIWSRLFMGNMGVDLPTLNV
YLSQQRVSGVPGAPRGNVHLPNGIHFREQADGTYAVAPRIFTSSIVKDSF
LLGPKFMHLLGGGELPLEFSIGEDLFNSFKMPTSWKLDEKSPFEQYRIAT
ATQNTEHLDAVFQRMKTEFPVFEKSQIVERWGAVVSPTFDELPIISEVKE
YPGLVINTATVWGMTEGPAAGEVTADIVTGKKPVIDPTPFSLDRFKK
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 chain5fjn Chain A Residue 500 [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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PDB5fjn Structure-Function Relationships in L-Amino Acid Deaminase, a Flavoprotein Belonging to a Novel Class of Biotechnologically Relevant Enzymes
Resolution1.75 Å
Binding residue
(original residue number in PDB)		I61 G62 G64 I65 Q66 L84 E85 K86 E92 Q93 S94 A97 Y98 S99 Q100 V228 G257 G258 W260 L279 Q281 F370 V412 T437 V438 W439 G440 M441 T442
Binding residue
(residue number reindexed from 1)		I34 G35 G37 I38 Q39 L57 E58 K59 E65 Q66 S67 A70 Y71 S72 Q73 V201 G230 G231 W233 L252 Q254 F343 V385 T410 V411 W412 G413 M414 T415
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S94 Y98 S99 L279
Catalytic site (residue number reindexed from 1) S67 Y71 S72 L252
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:5fjn, PDBe:5fjn, PDBj:5fjn
PDBsum5fjn
PubMed27022028
UniProtA0A158RFS7

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