SitesBLAST

Comparing WP_011386798.1 NCBI__GCF_000009985.1:WP_011386798.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Found 20 (the maximum) hits to proteins with known functional sites

P20932 (S)-mandelate dehydrogenase; MDH; L(+)-mandelate dehydrogenase; EC 1.1.99.31 from Pseudomonas putida (Arthrobacter siderocapsulatus) (see 3 papers)
37% identity, 97% coverage: 8:379/384 of query aligns to 7:375/393 of P20932

• PTG 79:81 (≠ PVG 79:81) binding
• G81 (= G81) mutation to A: 23-fold decrease in catalytic activity with mandelate as substrate and DCPIP as electron acceptor, but no change in affinity for mandelate. Shows a modestly higher reactivity with molecular oxygen.
• S108 (= S108) binding
• Q129 (= Q129) binding
• T156 (= T157) binding
• K250 (= K252) binding
• DSGFR 303:307 (≠ DGSIR 307:311) binding
• GR 326:327 (= GR 330:331) binding

6bfgA Crystal structure of monotopic membrane protein (s)-mandelate dehydrogenase (see paper)
37% identity, 97% coverage: 8:379/384 of query aligns to 5:373/373 of 6bfgA

• active site: Y129 (= Y131), D156 (= D159), H272 (= H276)
• binding flavin mononucleotide: Y24 (≠ F27), L25 (= L28), P77 (= P79), T78 (≠ V80), G79 (= G81), S106 (= S108), Q127 (= Q129), Y129 (= Y131), T154 (= T157), K248 (= K252), H272 (= H276), G273 (= G277), R275 (= R279), D301 (= D307), S302 (≠ G308), G303 (≠ S309), R305 (= R311), G324 (= G330), R325 (= R331)

1huvA Crystal structure of a soluble mutant of the membrane-associated (s)- mandelate dehydrogenase from pseudomonas putida at 2.15a resolution (see paper)
37% identity, 97% coverage: 8:379/384 of query aligns to 4:349/349 of 1huvA

• active site: S105 (= S108), Y128 (= Y131), T153 (= T157), D155 (= D159), K224 (= K252), H248 (= H276)
• binding flavin mononucleotide: Y23 (≠ F27), L24 (= L28), P76 (= P79), T77 (≠ V80), G78 (= G81), S105 (= S108), Q126 (= Q129), Y128 (= Y131), T153 (= T157), K224 (= K252), H248 (= H276), G249 (= G277), R251 (= R279), D277 (= D307), S278 (≠ G308), G279 (≠ S309), R281 (= R311), G300 (= G330), R301 (= R331)

2a85A Crystal structure of the g81a mutant of the active chimera of (s)- mandelate dehydrogenase in complex with its substrate 2- hydroxyoctanoate (see paper)
36% identity, 97% coverage: 8:379/384 of query aligns to 4:353/353 of 2a85A

• active site: S105 (= S108), Y128 (= Y131), T153 (= T157), D155 (= D159), K228 (= K252), H252 (= H276)
• binding flavin mononucleotide: Y23 (≠ F27), L24 (= L28), P76 (= P79), T77 (≠ V80), A78 (≠ G81), S105 (= S108), Q126 (= Q129), Y128 (= Y131), T153 (= T157), K228 (= K252), H252 (= H276), G253 (= G277), R255 (= R279), D281 (= D307), S282 (≠ G308), G283 (≠ S309), R285 (= R311), G304 (= G330), R305 (= R331)
• binding (2s)-2-hydroxyoctanoic acid: Y23 (≠ F27), Y128 (= Y131), N159 (≠ A163), G160 (= G164), R162 (= R166), H252 (= H276), R255 (= R279)

2a7pA Crystal structure of the g81a mutant of the active chimera of (s)- mandelate dehydrogenase in complex with its substrate 3-indolelactate (see paper)
36% identity, 97% coverage: 8:379/384 of query aligns to 4:353/353 of 2a7pA

• active site: S105 (= S108), Y128 (= Y131), T153 (= T157), D155 (= D159), K228 (= K252), H252 (= H276)
• binding 3-(indol-3-yl) lactate: A78 (≠ G81), A107 (≠ V110), Y128 (= Y131), R162 (= R166), M205 (≠ I229), H252 (= H276)
• binding flavin mononucleotide: Y23 (≠ F27), L24 (= L28), P76 (= P79), T77 (≠ V80), A78 (≠ G81), S105 (= S108), Q126 (= Q129), Y128 (= Y131), T153 (= T157), K228 (= K252), H252 (= H276), G253 (= G277), R255 (= R279), D281 (= D307), S282 (≠ G308), G283 (≠ S309), R285 (= R311), G304 (= G330), R305 (= R331)

6a24A The crystal structure of mandelate oxidase with 3-fluoropyruvate (see paper)
40% identity, 94% coverage: 8:367/384 of query aligns to 3:341/354 of 6a24A

• active site: Y126 (= Y131), D154 (= D159), H250 (= H276)
• binding flavin mononucleotide: F22 (= F27), L23 (= L28), A74 (= A78), P75 (= P79), V76 (= V80), A77 (≠ G81), Q124 (= Q129), Y126 (= Y131), T152 (= T157), K226 (= K252), H250 (= H276), G251 (= G277), R253 (= R279), D281 (= D307), G282 (= G308), G283 (≠ S309), R285 (= R311), V303 (≠ C329), G304 (= G330), R305 (= R331)
• binding pyruvic acid: F22 (= F27), Y126 (= Y131), R161 (= R166), H250 (= H276), R253 (= R279)

5zzqA The crystal structure of mandelate oxidase with (s)-4-hydroxymandelic acid (see paper)
40% identity, 94% coverage: 8:367/384 of query aligns to 3:341/355 of 5zzqA

• active site: Y126 (= Y131), D154 (= D159), H250 (= H276)
• binding flavin mononucleotide: F22 (= F27), L23 (= L28), A74 (= A78), P75 (= P79), V76 (= V80), A77 (≠ G81), Q124 (= Q129), Y126 (= Y131), T152 (= T157), K226 (= K252), H250 (= H276), G251 (= G277), R253 (= R279), D281 (= D307), G282 (= G308), G283 (≠ S309), R285 (= R311), V303 (≠ C329), G304 (= G330), R305 (= R331)
• binding (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid: F22 (= F27), L106 (≠ V110), Y126 (= Y131), M158 (≠ A163), R161 (= R166), T200 (= T220), F204 (= F224), H250 (= H276), R253 (= R279)

5zztA The crystal structure of mandelate oxidase with 3,3-difluoro-2- hydroxy-3-phenylpropionic acid (see paper)
39% identity, 94% coverage: 8:367/384 of query aligns to 3:318/331 of 5zztA

• active site: Y126 (= Y131), D154 (= D159), H227 (= H276)
• binding (2R)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid: F22 (= F27), Y78 (≠ M82), L106 (≠ V110), Y126 (= Y131), M158 (≠ A163), R161 (= R166), H227 (= H276), R230 (= R279)
• binding flavin mononucleotide: F22 (= F27), L23 (= L28), A74 (= A78), P75 (= P79), V76 (= V80), A77 (≠ G81), Q124 (= Q129), Y126 (= Y131), T152 (= T157), K203 (= K252), H227 (= H276), G228 (= G277), R230 (= R279), D258 (= D307), G259 (= G308), G260 (≠ S309), R262 (= R311), V280 (≠ C329), G281 (= G330), R282 (= R331)

6a08A The crystal structure of mandelate oxidase with benzoyl-formic acid (see paper)
39% identity, 94% coverage: 8:367/384 of query aligns to 4:321/335 of 6a08A

• active site: Y127 (= Y131), D155 (= D159), H230 (= H276)
• binding benzoyl-formic acid: F23 (= F27), A78 (≠ G81), Y79 (≠ M82), L107 (≠ V110), Y127 (= Y131), Y127 (= Y131), V156 (= V160), P157 (= P161), W158 (≠ V162), M159 (≠ A163), M159 (≠ A163), R162 (= R166), F184 (≠ L233), H230 (= H276), R233 (= R279)
• binding flavin mononucleotide: F23 (= F27), L24 (= L28), A75 (= A78), P76 (= P79), V77 (= V80), A78 (≠ G81), Q125 (= Q129), Y127 (= Y131), T153 (= T157), K206 (= K252), H230 (= H276), G231 (= G277), R233 (= R279), D261 (= D307), G262 (= G308), G263 (≠ S309), R265 (= R311), V283 (≠ C329), G284 (= G330), R285 (= R331)
• binding magnesium ion: D261 (= D307), G262 (= G308), I264 (= I310), L282 (≠ F328)

6a1rA Mandelate oxidase mutant-y128f with the n5-phenylacetyl-fmn adduct (see paper)
39% identity, 94% coverage: 8:367/384 of query aligns to 4:319/332 of 6a1rA

• active site: F127 (≠ Y131), D155 (= D159), H228 (= H276)
• binding 1-deoxy-1-[7,8-dimethyl-2,4-dioxo-5-(phenylacetyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol: F23 (= F27), L24 (= L28), A75 (= A78), P76 (= P79), V77 (= V80), A78 (≠ G81), L107 (≠ V110), Q125 (= Q129), F127 (≠ Y131), T153 (= T157), V156 (= V160), M159 (≠ A163), R162 (= R166), F182 (≠ I225), K204 (= K252), H228 (= H276), G229 (= G277), R231 (= R279), D259 (= D307), G260 (= G308), G261 (≠ S309), R263 (= R311), V281 (≠ C329), G282 (= G330), R283 (= R331)
• binding magnesium ion: D259 (= D307), G260 (= G308), I262 (= I310), L280 (≠ F328)

6a1wA Mandelate oxidase with the enoyl fmn epoxide adduct (see paper)
39% identity, 94% coverage: 8:367/384 of query aligns to 4:320/334 of 6a1wA

• active site: Y127 (= Y131), D155 (= D159), H229 (= H276)
• binding 1-[(1aR,11R)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol: F23 (= F27), L24 (= L28), A75 (= A78), P76 (= P79), V77 (= V80), A78 (≠ G81), Q125 (= Q129), Y127 (= Y131), T153 (= T157), M159 (≠ A163), R162 (= R166), K205 (= K252), H229 (= H276), G230 (= G277), R232 (= R279), D260 (= D307), G261 (= G308), G262 (≠ S309), R264 (= R311), V282 (≠ C329), G283 (= G330), R284 (= R331)
• binding magnesium ion: D260 (= D307), G261 (= G308), I263 (= I310), L281 (≠ F328)

6a1hA Mandelate oxidase mutant-y128f with 5-deazariboflavin mononucleotide (see paper)
39% identity, 94% coverage: 8:367/384 of query aligns to 3:318/332 of 6a1hA