SitesBLAST
Comparing Synpcc7942_2188 FitnessBrowser__SynE:Synpcc7942_2188 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)
5jxzA A low magnesium structure of the isochorismate synthase, entc (see paper)
38% identity, 56% coverage: 206:466/467 of query aligns to 111:371/373 of 5jxzA
- active site: K130 (= K225), E180 (= E275), A196 (= A291), E224 (= E319), H259 (= H354), A286 (= A381), F310 (≠ Y405), R330 (= R425), G346 (= G441), E359 (= E454), K363 (= K458)
- binding (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid: L195 (= L290), G197 (= G292), S198 (= S293), E224 (= E319), A286 (= A381), I329 (= I424), R330 (= R425), A343 (= A438), G344 (= G439), E359 (= E454), K363 (= K458)
- binding (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid: E180 (= E275), L195 (= L290), A196 (= A291), G197 (= G292), E224 (= E319), A286 (= A381), I329 (= I424), R330 (= R425), G344 (= G439), A345 (= A440), E359 (= E454), K363 (= K458)
- binding magnesium ion: E224 (= E319), E359 (= E454)
P0AEJ2 Isochorismate synthase EntC; Isochorismate mutase; EC 5.4.4.2 from Escherichia coli (strain K12) (see paper)
38% identity, 56% coverage: 206:466/467 of query aligns to 128:388/391 of P0AEJ2
- T140 (≠ I218) binding
- T142 (≠ A220) binding
- V145 (≠ L223) binding
- D146 (≠ H224) binding
- G214 (= G292) binding
- S215 (= S293) binding
- E241 (= E319) binding ; binding
- A303 (= A381) binding ; mutation to T: Loss of mutase activity.
- L304 (≠ V382) mutation to A: Loss of mutase activity.
- F327 (≠ Y405) mutation to Y: Loss of mutase activity.
- I346 (= I424) mutation to L: Loss of mutase activity.
- R347 (= R425) binding
- F359 (≠ C437) mutation to Q: Loss of mutase activity.
- G361 (= G439) binding
- E376 (= E454) binding
- K380 (= K458) binding
3hwoA Crystal structure of escherichia coli enterobactin-specific isochorismate synthase entc in complex with isochorismate (see paper)
38% identity, 56% coverage: 206:466/467 of query aligns to 116:376/379 of 3hwoA
- active site: K135 (= K225), E185 (= E275), A201 (= A291), E229 (= E319), H264 (= H354), A291 (= A381), F315 (≠ Y405), R335 (= R425), G351 (= G441), E364 (= E454), K368 (= K458)
- binding (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid: G202 (= G292), S203 (= S293), E229 (= E319), H264 (= H354), I334 (= I424), R335 (= R425), A348 (= A438), G349 (= G439), E364 (= E454), K368 (= K458)
- binding magnesium ion: T128 (≠ I218), T130 (≠ A220), V133 (≠ L223), D134 (≠ H224), E229 (= E319), E364 (= E454)
5jy8A An iron-bound structure of the isochorismate synthase entc (see paper)
38% identity, 56% coverage: 206:466/467 of query aligns to 106:366/368 of 5jy8A
- active site: K125 (= K225), E175 (= E275), A191 (= A291), E219 (= E319), H254 (= H354), A281 (= A381), F305 (≠ Y405), R325 (= R425), G341 (= G441), E354 (= E454), K358 (= K458)
- binding fe (iii) ion: E219 (= E319), E237 (= E337), H239 (= H339), E354 (= E454)
- binding (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid: E175 (= E275), L190 (= L290), A191 (= A291), G192 (= G292), E219 (= E319), L282 (≠ V382), I324 (= I424), F337 (≠ C437), A338 (= A438), G339 (= G439), E354 (= E454), K358 (= K458)
P45744 Isochorismate synthase DhbC; Isochorismate mutase; EC 5.4.4.2 from Bacillus subtilis (strain 168) (see paper)
36% identity, 57% coverage: 203:466/467 of query aligns to 123:393/398 of P45744
- S271 (≠ Q345) modified: Phosphoserine
3bznA Crystal structure of open form of menaquinone-specific isochorismate synthase, menf (see paper)
32% identity, 98% coverage: 1:458/467 of query aligns to 1:420/430 of 3bznA
- active site: K190 (= K225), E240 (= E275), A256 (= A291), E284 (= E319), H318 (= H354), A344 (= A381), Y368 (= Y405), R387 (= R425), G403 (= G441), E416 (= E454), K420 (= K458)
- binding magnesium ion: E284 (= E319), E416 (= E454)
P38051 Isochorismate synthase MenF; Isochorismate hydroxymutase; Isochorismate mutase; EC 5.4.4.2 from Escherichia coli (strain K12) (see 2 papers)
32% identity, 98% coverage: 1:458/467 of query aligns to 1:420/431 of P38051
- K190 (= K225) active site, Proton acceptor; mutation to A: Lack of activity.
- E240 (= E275) active site, Proton donor; mutation to Q: Lack of activity.
- L255 (= L290) mutation to A: Decrease in activity.
- E284 (= E319) binding
- A344 (= A381) mutation to T: Lack of activity.
- R387 (= R425) mutation to A: Lack of activity.
- E416 (= E454) binding
8qc4A Salicylate synthase (see paper)
33% identity, 52% coverage: 201:443/467 of query aligns to 169:411/438 of 8qc4A
Sites not aligning to the query:
2g5fA The structure of mbti from mycobacterium tuberculosis, the first enzyme in the synthesis of mycobactin, reveals it to be a salicylate synthase (see paper)
33% identity, 52% coverage: 201:443/467 of query aligns to 167:409/435 of 2g5fA
- active site: K191 (= K225), E238 (= E275), A255 (= A291), E283 (= E319), H320 (= H354), T347 (≠ A381), Y371 (= Y405), R391 (= R425), G407 (= G441)
- binding pyruvic acid: Y371 (= Y405), L390 (≠ I424), R391 (= R425), G405 (= G439)
Sites not aligning to the query:
6za5B M. Tuberculosis salicylate synthase mbti in complex with salicylate and mg2+ (see paper)
33% identity, 52% coverage: 201:443/467 of query aligns to 172:414/440 of 6za5B
Sites not aligning to the query:
3rv8C Structure of a m. Tuberculosis salicylate synthase, mbti, in complex with an inhibitor with cyclopropyl r-group (see paper)
33% identity, 52% coverage: 201:443/467 of query aligns to 167:404/430 of 3rv8C
- active site: K191 (= K225), E238 (= E275), A255 (= A291), E278 (= E319), H315 (= H354), T342 (≠ A381), Y366 (= Y405), R386 (= R425), G402 (= G441)
- binding 3-{[(Z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid: L254 (= L290), H315 (= H354), T342 (≠ A381), L385 (≠ I424), R386 (= R425)
- binding 3-{[(E)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid: H315 (= H354), T342 (≠ A381), Y366 (= Y405), L385 (≠ I424), R386 (= R425), A399 (= A438)
Sites not aligning to the query:
P9WFX1 Salicylate synthase; Chorismate mutase; CM; Isochorismate synthase/isochorismate lyase; Mycobactin synthase protein; EC 5.4.99.5; EC 4.2.99.21; EC 5.4.4.2 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 4 papers)
33% identity, 52% coverage: 201:443/467 of query aligns to 181:423/450 of P9WFX1
- K205 (= K225) mutation to A: Only the chorismate mutase activity is observed.
- E252 (= E275) mutation to Q: No activity is observed.
- L268 (= L290) Could activate a water molecule for attack at the C2 of chorismate and involved in recognition/elimination of the C4 hydroxyl; mutation to A: Only the chorismate mutase activity is observed.
- GT 270:271 (≠ GS 292:293) binding
- T271 (≠ S293) mutation to A: Only the chorismate mutase activity is observed.
- E297 (= E319) binding
- H334 (= H354) mutation to M: Only the chorismate mutase activity is observed.
- Y385 (= Y405) binding
- R405 (= R425) binding ; mutation to A: Only the chorismate mutase activity is observed.
- GAG 419:421 (= GAG 439:441) binding
Sites not aligning to the query:
- 431 binding
- 434 binding
- 438 binding
3logB Crystal structure of mbti from mycobacterium tuberculosis (see paper)
33% identity, 52% coverage: 201:443/467 of query aligns to 182:424/450 of 3logB
- active site: K206 (= K225), E253 (= E275), A270 (= A291), E298 (= E319), H335 (= H354), T362 (≠ A381), Y386 (= Y405), R406 (= R425), G422 (= G441)
- binding carbonate ion: G271 (= G292), T272 (≠ S293), E298 (= E319)
Sites not aligning to the query:
3st6A Structure of a m. Tuberculosis synthase, mbti, in complex with an isochorismate analogue inhibitor (see paper)
33% identity, 52% coverage: 201:443/467 of query aligns to 167:409/436 of 3st6A
- active site: K191 (= K225), E238 (= E275), A255 (= A291), E283 (= E319), H320 (= H354), T347 (≠ A381), Y371 (= Y405), R391 (= R425), G407 (= G441)
- binding 3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid: H320 (= H354), T347 (≠ A381), Y371 (= Y405), L390 (≠ I424), R391 (= R425), A404 (= A438), G405 (= G439), G407 (= G441)
Sites not aligning to the query:
3vehB Structure of a m. Tuberculosis salicylate synthase, mbti, in complex with an inhibitor methylamt (see paper)
33% identity, 52% coverage: 201:443/467 of query aligns to 183:425/451 of 3vehB
- active site: K207 (= K225), E254 (= E275), A271 (= A291), E299 (= E319), H336 (= H354), T363 (≠ A381), Y387 (= Y405), R407 (= R425), G423 (= G441)
- binding 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid: L270 (= L290), T273 (≠ S293), H336 (= H354), T363 (≠ A381), Y387 (= Y405), L406 (≠ I424), A420 (= A438), G421 (= G439)
Sites not aligning to the query:
5cwaA Structure of anthranilate synthase component i (trpe) from mycobacterium tuberculosis with inhibitor bound (see paper)
27% identity, 55% coverage: 205:463/467 of query aligns to 228:491/505 of 5cwaA
- active site: Q248 (≠ K225), E301 (= E275), A317 (= A291), E345 (= E319), H382 (= H354), T409 (≠ A381), Y433 (= Y405), R453 (= R425), G469 (= G441), E482 (= E454), K486 (= K458)
- binding 3-{[(1Z)-1-carboxyprop-1-en-1-yl]oxy}-2-hydroxybenzoic acid: Y433 (= Y405), I452 (= I424), A466 (= A438), G467 (= G439), K486 (= K458)
A0QX93 Anthranilate synthase component 1; AS; ASI; EC 4.1.3.27 from Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155) (Mycobacterium smegmatis) (see paper)
31% identity, 42% coverage: 269:463/467 of query aligns to 316:512/524 of A0QX93
- K355 (≠ Q308) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)
O94582 Probable anthranilate synthase component 1; Anthranilate synthase component I; EC 4.1.3.27 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
31% identity, 42% coverage: 270:466/467 of query aligns to 275:474/489 of O94582
- S390 (≠ A383) modified: Phosphoserine
- S392 (≠ L385) modified: Phosphoserine
Sites not aligning to the query:
- 488 modified: Phosphoserine
6za4A M. Tuberculosis salicylate synthase mbti in complex with 5-(3- cyanophenyl)furan-2-carboxylate (see paper)
33% identity, 52% coverage: 201:443/467 of query aligns to 167:403/429 of 6za4A
- active site: K191 (= K225), E238 (= E275), A255 (= A291), E277 (= E319), H314 (= H354), T341 (≠ A381), Y365 (= Y405), R385 (= R425), G401 (= G441)
- binding 5-(3-cyanophenyl)furan-2-carboxylic acid: K191 (= K225), I193 (≠ V227), T341 (≠ A381), Y365 (= Y405), L384 (≠ I424), A398 (= A438), G399 (= G439)
Sites not aligning to the query:
3rv9A Structure of a m. Tuberculosis salicylate synthase, mbti, in complex with an inhibitor with ethyl r-group (see paper)
32% identity, 52% coverage: 201:443/467 of query aligns to 167:393/420 of 3rv9A
- active site: K191 (= K225), E238 (= E275), A255 (= A291), E272 (= E319), H304 (= H354), T331 (≠ A381), Y355 (= Y405), R375 (= R425), G391 (= G441)
- binding 3-{[(1Z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid: T331 (≠ A381), Y355 (= Y405), L374 (≠ I424), R375 (= R425), A388 (= A438), G389 (= G439)
Sites not aligning to the query:
Query Sequence
>Synpcc7942_2188 FitnessBrowser__SynE:Synpcc7942_2188
MAALSTASSLQSFSELLAWVRPALEATPTARLLSLSLPLPRLDPLAAWGVLGSSRDRHYY
QERPATQEAIVAVGPAALLELNGPQRFQQAQTFINACLAQGLRLQAEGATLGPSFCCSFS
FFEDVAGTAPAAPATVFLPRWQVRCQADRTVLTASFAIADRESYRQRLEEVWQVYQHLRA
IAQQPFQLPPLRPNRWLEQQSSDPQSFRAGVETVLAEIAAGRLHKGVLARCLEAIAEFAI
VPEGVLDRLRQRFADCAIFSCGDGRGSVFLGATPERLAAVEAGQLVTEALAGSAPRGETI
AADQALGQALQANPKELQEHQLVAQFIRQTLQELGLEPHLSDRPQLRRLSNIQHLHTPIA
APLPAALPLLDVVAQLHPTPAVAGLPKQAAEQAIRRLEPFERSLYAAPVGWVDDQGNGEF
LVGIRSASIQGNRVRLCAGAGIVPGSQPDQELVEVDLKLQAMLGALI
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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