SitesBLAST
Comparing N515DRAFT_0357 FitnessBrowser__Dyella79:N515DRAFT_0357 to proteins with known functional sites using BLASTp with E ≤ 0.001.
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Found 20 (the maximum) hits to proteins with known functional sites (download)
Q8PDA8 Tryptophan 2,3-dioxygenase; TDO; Tryptamin 2,3-dioxygenase; Tryptophan oxygenase; TO; TRPO; Tryptophan pyrrolase; Tryptophanase; EC 1.13.11.11 from Xanthomonas campestris pv. campestris (strain ATCC 33913 / DSM 3586 / NCPPB 528 / LMG 568 / P 25) (see 2 papers)
71% identity, 99% coverage: 4:282/282 of query aligns to 6:284/298 of Q8PDA8
- FIIQH 51:55 (≠ FIVQH 49:53) binding
- H55 (= H53) mutation to A: Decrease in catalytic efficiency using L-tryptophan, 5-fluoro-D/L-tryptophan, 6-fluoro-D/L-tryptophan, 5-methyl-D/L-tryptophan and 6-methyl-D/L-tryptophan as substrate.; mutation to S: Decrease in catalytic efficiency using L-tryptophan, 5-fluoro-D/L-tryptophan, 6-fluoro-D/L-tryptophan, 5-methyl-D/L-tryptophan and 6-methyl-D/L-tryptophan as substrate.
- Y113 (= Y111) binding
- R117 (= R115) binding
- H240 (= H238) binding axial binding residue
- T254 (= T252) binding
7p46A Crystal structure of xanthomonas campestris tryptophan 2,3-dioxygenase (tdo) (see paper)
70% identity, 99% coverage: 4:282/282 of query aligns to 2:280/281 of 7p46A
- binding protoporphyrin ix containing fe: S51 (≠ H53), S54 (≠ A56), W98 (= W100), S120 (= S122), G121 (= G123), F122 (= F124), Y127 (= Y129), R128 (= R130), H236 (= H238), V240 (= V242), G249 (= G251), G251 (= G253), S253 (= S255)
- binding (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid: F47 (= F49), S51 (≠ H53), Y109 (= Y111), R113 (= R115), S119 (= S121), G249 (= G251), T250 (= T252)
- binding tryptophan: K82 (= K84), A85 (= A87), Y216 (= Y218), S217 (≠ Y219), E220 (= E222), D224 (= D226)
2nw9A Crystal structure of tryptophan 2,3-dioxygenase (tdo) from xanthomonas campestris in complex with ferrous heme and 6-fluoro-tryptophan. Northeast structural genomics target xcr13 (see paper)
71% identity, 94% coverage: 18:282/282 of query aligns to 1:265/265 of 2nw9A
- binding 6-fluoro-l-tryptophan: F32 (= F49), H36 (= H53), Y94 (= Y111), R98 (= R115), L101 (= L118), S104 (= S121), G234 (= G251), T235 (= T252)
- binding protoporphyrin ix containing fe: F32 (= F49), H36 (= H53), S39 (≠ A56), W83 (= W100), L86 (= L103), G106 (= G123), F107 (= F124), Y112 (= Y129), R113 (= R130), H221 (= H238), V225 (= V242), I229 (= I246), G234 (= G251), G236 (= G253), S238 (= S255)
1yw0A Crystal structure of the tryptophan 2,3-dioxygenase from xanthomonas campestris. Northeast structural genomics target xcr13.
65% identity, 93% coverage: 21:282/282 of query aligns to 1:243/243 of 1yw0A
Q1LK00 Tryptophan 2,3-dioxygenase; TDO; Tryptamin 2,3-dioxygenase; Tryptophan oxygenase; TO; TRPO; Tryptophan pyrrolase; Tryptophanase; EC 1.13.11.11 from Cupriavidus metallidurans (strain ATCC 43123 / DSM 2839 / NBRC 102507 / CH34) (Ralstonia metallidurans) (see paper)
50% identity, 96% coverage: 11:280/282 of query aligns to 32:299/299 of Q1LK00
- F68 (= F49) mutation to A: Abolishes catalytic activity.
- Y130 (= Y111) mutation to F: 15-fold increase in catalytic activity.
- R134 (= R115) mutation to A: Abolishes catalytic activity.
- T271 (= T252) mutation to A: Abolishes catalytic activity.
2noxB Crystal structure of tryptophan 2,3-dioxygenase from ralstonia metallidurans (see paper)
49% identity, 96% coverage: 11:280/282 of query aligns to 3:266/266 of 2noxB
- binding protoporphyrin ix containing fe: F39 (= F49), H43 (= H53), T46 (≠ A56), W90 (= W100), L93 (= L103), S112 (= S122), G113 (= G123), F114 (= F124), Y119 (= Y129), R120 (= R130), H228 (= H238), V232 (= V242), E242 (≠ S256), Y246 (≠ F260), L247 (= L261)
5ti9C Crystal structure of human tdo in complex with trp and dioxygen, northeast structural genomics consortium target hr6161 (see paper)
28% identity, 93% coverage: 20:280/282 of query aligns to 1:307/326 of 5ti9C
- binding protoporphyrin ix containing fe: H37 (= H53), Y40 (≠ A56), L93 (= L103), S112 (= S122), G113 (= G123), F114 (= F124), F119 (≠ Y129), R120 (= R130), W259 (= W234), H263 (= H238), V267 (= V242), M270 (≠ I245), G276 (= G251), G278 (= G253), S280 (= S255), L286 (= L261)
- binding N'-Formylkynurenine: F33 (= F49), H37 (= H53), R105 (= R115), L108 (= L118), A111 (≠ S121), S112 (= S122), G113 (= G123), L271 (≠ I246), G276 (= G251), T277 (= T252)
- binding tryptophan: R64 (≠ D77), E66 (≠ I79), W159 (vs. gap), R162 (vs. gap), T163 (vs. gap), P164 (= P164), I230 (vs. gap), F239 (vs. gap), P242 (vs. gap)
6pyzC Crystal structure of human tryptophan 2,3-dioxygenase in complex with pf-06840003 in active site (see paper)
29% identity, 93% coverage: 20:280/282 of query aligns to 2:314/333 of 6pyzC
- binding (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione: Y4 (= Y22), Y7 (= Y25), F34 (= F49), H38 (= H53), A112 (≠ S121), S113 (= S122), T284 (= T252)
- binding protoporphyrin ix containing fe: H38 (= H53), Y41 (≠ A56), L94 (= L103), G114 (= G123), F115 (= F124), F120 (≠ Y129), R121 (= R130), H270 (= H238), M273 (≠ T241), V274 (= V242), M277 (≠ I245), G283 (= G251), G285 (= G253), S287 (= S255), Y292 (≠ F260), L293 (= L261)
- binding alpha-methyl-L-tryptophan: R65 (≠ D77), E67 (≠ I79), W167 (≠ Y173), R170 (= R176), T171 (≠ R177), P172 (≠ G178), F246 (≠ Y218)
4hkaA Crystal structure of drosophila melanogaster tryptophan 2,3- dioxygenase in complex with heme (see paper)
41% identity, 55% coverage: 22:176/282 of query aligns to 4:172/345 of 4hkaA
Sites not aligning to the query:
P20351 Tryptophan 2,3-dioxygenase; TDO; Protein vermilion; Tryptamin 2,3-dioxygenase; Tryptophan oxygenase; TO; TRPO; Tryptophan pyrrolase; Tryptophanase; EC 1.13.11.11 from Drosophila melanogaster (Fruit fly) (see paper)
41% identity, 55% coverage: 22:176/282 of query aligns to 27:195/379 of P20351
- D123 (≠ E110) mutation to A: Strongly reduced enzyme activity.
Sites not aligning to the query:
- 236 Y→F: Strongly reduced enzyme activity.
- 309 R→A: Strongly reduced enzyme activity.
- 312 binding axial binding residue
- 335 Y→F: Strongly reduced enzyme activity.
6a4iD Crystal structure of human tdo inhibitor complex
29% identity, 82% coverage: 20:249/282 of query aligns to 1:250/290 of 6a4iD
- binding 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol: Y3 (= Y22), Y6 (= Y25), F33 (= F49), H37 (= H53), A111 (≠ S121)
- binding protoporphyrin ix containing fe: F33 (= F49), H37 (= H53), Y40 (≠ A56), F101 (≠ Y111), S112 (= S122), G113 (= G123), F114 (= F124), F119 (≠ Y129), H239 (= H238), V243 (= V242), M246 (≠ I245)
- binding tryptophan: R64 (≠ D77), W153 (vs. gap), R156 (vs. gap), T157 (vs. gap), P158 (= P164), I206 (≠ V203), F215 (≠ H214)
Sites not aligning to the query:
P48775 Tryptophan 2,3-dioxygenase; TDO; Tryptamin 2,3-dioxygenase; Tryptophan oxygenase; TO; TRPO; Tryptophan pyrrolase; Tryptophanase; EC 1.13.11.11 from Homo sapiens (Human) (see 3 papers)
38% identity, 46% coverage: 9:137/282 of query aligns to 29:166/406 of P48775
- Y42 (= Y22) mutation to A: Reduces enzyme activity by 99%.
- Y45 (= Y25) mutation to A: Reduces enzyme activity by 99%.
- F72 (= F49) mutation to A: Abolishes enzyme activity.
- FIITH 72:76 (≠ FIVQH 49:53) binding
- H76 (= H53) mutation to A: Abolishes enzyme activity.
- M108 (≠ C82) to I: in HYPTRP; reduced tryptophan 2,3-dioxygenase activity; does not affect homotetramerization; dbSNP:rs1553957997
- F140 (≠ Y111) mutation to A: Reduces enzyme activity by 99%.
- R144 (= R115) binding ; mutation to A: Reduces enzyme activity by 99%.
- S151 (= S122) mutation to A: Reduces enzyme activity by 90%.
Sites not aligning to the query:
- 175 Y→G: Reduces enzyme activity.
- 328 binding axial binding residue; H→A: Abolishes enzyme activity.
- 342 binding
6a4iB Crystal structure of human tdo inhibitor complex
27% identity, 93% coverage: 20:280/282 of query aligns to 1:295/309 of 6a4iB
- binding 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol: Y3 (= Y22), Y6 (= Y25), F33 (= F49), H37 (= H53), L108 (= L118), A111 (≠ S121)
- binding protoporphyrin ix containing fe: F33 (= F49), H37 (= H53), Y40 (≠ A56), L93 (= L103), S112 (= S122), G113 (= G123), F114 (= F124), F119 (≠ Y129), R120 (= R130), W255 (= W234), H259 (= H238), V263 (= V242), L274 (= L261)
- binding tryptophan: R64 (≠ D77), E66 (≠ I79), W153 (vs. gap), R156 (vs. gap), T157 (vs. gap), P158 (= P164), P238 (vs. gap)
6a4iA Crystal structure of human tdo inhibitor complex
28% identity, 93% coverage: 20:280/282 of query aligns to 1:313/322 of 6a4iA
- binding 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol: Y3 (= Y22), Y6 (= Y25), F33 (= F49), H37 (= H53), A111 (≠ S121)
- binding protoporphyrin ix containing fe: F33 (= F49), H37 (= H53), Y40 (≠ A56), L93 (= L103), F101 (≠ Y111), S112 (= S122), G113 (= G123), F114 (= F124), F119 (≠ Y129), W270 (= W234), H274 (= H238), M277 (≠ T241), V278 (= V242), M281 (≠ I245), L292 (= L261)
- binding tryptophan: R64 (≠ D77), W158 (vs. gap), R161 (vs. gap), T162 (vs. gap), P163 (vs. gap), I241 (= I207), F250 (≠ Y218), P253 (≠ C221)
8r5qC Structure of apo tdo with a bound inhibitor
38% identity, 51% coverage: 20:163/282 of query aligns to 1:152/317 of 8r5qC
- binding 3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline: Y3 (= Y22), Y6 (= Y25), L7 (= L26), F33 (= F49), H37 (= H53), F101 (≠ Y111), P110 (≠ S120), G113 (= G123), Q115 (= Q125), S116 (= S126)
- binding alpha-methyl-L-tryptophan: R64 (≠ D77), E66 (≠ I79)
Sites not aligning to the query:
6vbnA Crystal structure of htdo2 bound to inhibitor gne1 (see paper)
39% identity, 42% coverage: 20:137/282 of query aligns to 1:127/344 of 6vbnA
- binding protoporphyrin ix containing fe: H37 (= H53), Y40 (≠ A56), L93 (= L103), F101 (≠ Y111), S112 (= S122), G113 (= G123), F114 (= F124), F119 (≠ Y129), R120 (= R130)
- binding 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol: Y3 (= Y22), Y6 (= Y25), F33 (= F49), H37 (= H53), L108 (= L118), A111 (≠ S121), G113 (= G123)
Sites not aligning to the query:
5ti9A Crystal structure of human tdo in complex with trp and dioxygen, northeast structural genomics consortium target hr6161 (see paper)
40% identity, 42% coverage: 20:137/282 of query aligns to 2:128/350 of 5ti9A
- binding protoporphyrin ix containing fe: F34 (= F49), H38 (= H53), Y41 (≠ A56), F102 (≠ Y111), S113 (= S122), G114 (= G123), F115 (= F124), F120 (≠ Y129), R121 (= R130)
- binding tryptophan: F34 (= F49), H38 (= H53), R65 (≠ D77), E67 (≠ I79), F102 (≠ Y111), R106 (= R115), L109 (= L118), A112 (≠ S121), S113 (= S122)
Sites not aligning to the query:
- binding protoporphyrin ix containing fe: 286, 290, 293, 294, 303, 305, 307, 313
- binding tryptophan: 170, 173, 174, 175, 266, 269, 303, 304
5ti9D Crystal structure of human tdo in complex with trp and dioxygen, northeast structural genomics consortium target hr6161 (see paper)
40% identity, 42% coverage: 20:137/282 of query aligns to 2:128/332 of 5ti9D
- binding protoporphyrin ix containing fe: F34 (= F49), H38 (= H53), Y41 (≠ A56), L94 (= L103), S113 (= S122), G114 (= G123), F115 (= F124), F120 (≠ Y129), R121 (= R130)
- binding N'-Formylkynurenine: F34 (= F49), H38 (= H53), R106 (= R115), L109 (= L118), A112 (≠ S121), S113 (= S122), G114 (= G123)
- binding tryptophan: R65 (≠ D77), E67 (≠ I79)
Sites not aligning to the query:
- binding protoporphyrin ix containing fe: 137, 286, 289, 290, 300, 301
- binding tryptophan: 170, 173, 174, 175, 253, 262, 265
6pyzA Crystal structure of human tryptophan 2,3-dioxygenase in complex with pf-06840003 in active site (see paper)
39% identity, 42% coverage: 20:137/282 of query aligns to 2:128/353 of 6pyzA
- binding (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione: Y4 (= Y22), Y7 (= Y25), F34 (= F49), H38 (= H53), R106 (= R115), A112 (≠ S121), S113 (= S122)
- binding protoporphyrin ix containing fe: F34 (= F49), H38 (= H53), Y41 (≠ A56), L94 (= L103), F102 (≠ Y111), S113 (= S122), G114 (= G123), F115 (= F124), F120 (≠ Y129), R121 (= R130)
- binding alpha-methyl-L-tryptophan: R65 (≠ D77), E67 (≠ I79)
Sites not aligning to the query:
- binding (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione: 304
- binding protoporphyrin ix containing fe: 290, 293, 294, 297, 303, 305, 307, 312, 313
- binding alpha-methyl-L-tryptophan: 170, 173, 174, 175, 266, 269
7lu7CCC Tryptophan 2,3-dioxygenase
40% identity, 42% coverage: 20:137/282 of query aligns to 2:128/323 of 7lu7CCC
- binding (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol: Y4 (= Y22), Y7 (= Y25), F34 (= F49), H38 (= H53), A112 (≠ S121), G114 (= G123)
- binding protoporphyrin ix containing fe: H38 (= H53), Y41 (≠ A56), S113 (= S122), G114 (= G123), F115 (= F124), F120 (≠ Y129), R121 (= R130)
- binding alpha-methyl-L-tryptophan: R65 (≠ D77), E67 (≠ I79)
Sites not aligning to the query:
Query Sequence
>N515DRAFT_0357 FitnessBrowser__Dyella79:N515DRAFT_0357
MTDNRRDLEAGIEVDLQGRLTYGGYLRLDALLSAQQPLSQPPHHDEMLFIVQHQVAELWM
KLIIHELKAAIEHLHRDDIDPCLKILARVKHVQRQLYEQWGVLETLTPAEYLEFRDILGS
SSGFQSLQYRQIEFLLGNKNEQMLAVFAYDPAAQAALREVLEAPSLYDEFLAYLARRGHA
VPAELLGRDWTQPYQRNEGLLPVLKRIYENRAEHWPEYYMCEQLVDVEGQFQQWRFRHMK
TVERIIGHRRGTGGSSGVAFLKKALELEFFPELLDVRTVLGT
Or try a new SitesBLAST search
SitesBLAST's Database
SitesBLAST's database includes
(1) SwissProt
entries with experimentally-supported functional features;
and (2) protein structures with bound ligands, from the
BioLip database.
by Morgan Price,
Arkin group
Lawrence Berkeley National Laboratory