SitesBLAST
Comparing GFF368 FitnessBrowser__psRCH2:GFF368 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)
3cb3A Crystal structure of l-talarate dehydratase from polaromonas sp. Js666 complexed with mg and l-glucarate
64% identity, 98% coverage: 7:379/380 of query aligns to 1:373/373 of 3cb3A
- active site: K24 (= K30), S57 (= S63), T143 (= T149), K171 (= K177), K173 (= K179), D202 (= D208), N204 (= N210), E228 (= E234), G253 (= G259), E254 (= E260), M275 (= M281), D277 (= D283), H304 (= H310), F305 (= F311), A306 (≠ V312), E324 (= E330)
- binding l-glucaric acid: K171 (= K177), K173 (= K179), D202 (= D208), E254 (= E260), H304 (= H310)
- binding magnesium ion: D202 (= D208), E228 (= E234), A243 (= A249), F246 (≠ L252), E254 (= E260)
2og9A Crystal structure of mandelate racemase/muconate lactonizing enzyme from polaromonas sp. Js666
61% identity, 98% coverage: 7:380/380 of query aligns to 2:363/363 of 2og9A
- active site: S46 (= S63), T132 (= T149), K160 (= K177), K162 (= K179), D191 (= D208), N193 (= N210), E217 (= E234), G242 (= G259), E243 (= E260), M264 (= M281), D266 (= D283), H293 (= H310), F294 (= F311), A295 (≠ V312), E313 (= E330)
- binding calcium ion: A232 (= A249), F235 (≠ L252)
Q8ZL58 L-talarate/galactarate dehydratase; TalrD/GalrD; StTGD; EC 4.2.1.156; EC 4.2.1.42 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see paper)
58% identity, 98% coverage: 8:380/380 of query aligns to 26:398/398 of Q8ZL58
- DAK 46:48 (= DAK 28:30) binding
- KR 82:83 (≠ LR 64:65) binding
- K195 (= K177) binding
- K197 (= K179) active site, Proton acceptor; mutation to A: Loss of dehydration activity on both L-talarate and galactarate and loss of epimerization activity.
- D226 (= D208) binding
- N228 (= N210) binding
- E252 (= E234) binding
- E278 (= E260) binding
- H328 (= H310) active site, Proton donor/acceptor; mutation H->N,A: Loss of dehydration activity on both L-talarate and galactarate and loss of epimerization activity.
- E348 (= E330) binding
2pp1A Crystal structure of l-talarate/galactarate dehydratase from salmonella typhimurium lt2 liganded with mg and l-lyxarohydroxamate (see paper)
58% identity, 98% coverage: 8:380/380 of query aligns to 23:395/395 of 2pp1A
- active site: K45 (= K30), S78 (= S63), K192 (= K177), K194 (= K179), D223 (= D208), N225 (= N210), E249 (= E234), G274 (= G259), E275 (= E260), D298 (= D283), H325 (= H310), E345 (= E330)
- binding (2r,3s,4r)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid: D43 (= D28), K45 (= K30), K79 (≠ L64), F168 (≠ Y153), K194 (= K179), E275 (= E260), H325 (= H310), E345 (= E330)
- binding magnesium ion: D223 (= D208), E249 (= E234), E275 (= E260)
2pp3A Crystal structure of l-talarate/galactarate dehydratase mutant k197a liganded with mg and l-glucarate (see paper)
58% identity, 98% coverage: 8:380/380 of query aligns to 23:395/395 of 2pp3A
- active site: K45 (= K30), S78 (= S63), K192 (= K177), A194 (≠ K179), D223 (= D208), N225 (= N210), E249 (= E234), G274 (= G259), E275 (= E260), D298 (= D283), H325 (= H310), E345 (= E330)
- binding l-glucaric acid: D43 (= D28), K79 (≠ L64), K192 (= K177), D223 (= D208), N225 (= N210), E275 (= E260), H325 (= H310), E345 (= E330), F347 (= F332)
- binding magnesium ion: D223 (= D208), E249 (= E234), E275 (= E260)
Q9RKF7 3,6-anhydro-alpha-L-galactonate cycloisomerase; AHGA cycloisomerase; EC 5.5.1.25 from Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145)
36% identity, 87% coverage: 39:368/380 of query aligns to 26:356/361 of Q9RKF7
- D195 (= D208) binding
- E221 (= E234) binding
- E247 (= E260) binding
3ck5A Crystal structure of a racemase from streptomyces coelicolor a3(2) with bound magnesium
36% identity, 87% coverage: 39:368/380 of query aligns to 26:353/357 of 3ck5A
- active site: T50 (≠ S63), G137 (≠ S150), K164 (= K177), K166 (= K179), D195 (= D208), N197 (= N210), I220 (= I233), E221 (= E234), I243 (≠ V256), G246 (= G259), E247 (= E260), E268 (≠ M281), D270 (= D283), H297 (= H310), G298 (≠ F311), V299 (= V312), Y315 (≠ W328), E317 (= E330)
- binding magnesium ion: D195 (= D208), E221 (= E234), E247 (= E260)
Sites not aligning to the query:
4h19A Crystal structure of an enolase (mandelate racemase subgroup, target efi-502087) from agrobacterium tumefaciens, with bound mg and d- ribonohydroxamate, ordered loop
34% identity, 82% coverage: 48:357/380 of query aligns to 36:354/372 of 4h19A
- active site: T51 (≠ S63), T143 (= T149), K172 (= K177), K174 (= K179), D203 (= D208), N205 (= N210), E229 (= E234), G254 (= G259), E255 (= E260), Q276 (≠ M281), D278 (= D283), H305 (= H310), A306 (≠ F311), G307 (vs. gap), E327 (= E330)
- binding (2R,3R,4R)-N,2,3,4,5-pentakis(oxidanyl)pentanamide: H52 (vs. gap), K172 (= K177), K174 (= K179), D203 (= D208), N205 (= N210), E229 (= E234), E255 (= E260), H305 (= H310), E327 (= E330)
- binding calcium ion: D268 (≠ E273), H298 (≠ R303)
- binding magnesium ion: D203 (= D208), E229 (= E234), E255 (= E260)
Sites not aligning to the query:
3ugvF Crystal structure of an enolase from alpha pretobacterium bal199 (efi target efi-501650) with bound mg
31% identity, 94% coverage: 16:371/380 of query aligns to 10:362/364 of 3ugvF
- active site: V20 (= V26), P51 (vs. gap), P54 (≠ S61), A95 (≠ G107), S137 (≠ T149), K168 (= K177), R170 (≠ K179), D199 (= D208), N201 (= N210), E225 (= E234), G250 (= G259), E251 (= E260), N252 (≠ M261), M272 (= M281), D274 (= D283), A293 (≠ R302), H301 (= H310), L302 (≠ F311), Y303 (≠ V312), E321 (= E330)
- binding magnesium ion: D199 (= D208), E225 (= E234), R240 (≠ A249), L243 (= L252), E251 (= E260)
5xd8B Crystal structure analysis of 3,6-anhydro-l-galactonate cycloisomerase (see paper)
28% identity, 84% coverage: 10:330/380 of query aligns to 5:319/367 of 5xd8B
- active site: S22 (= S27), T53 (≠ L58), G140 (≠ S150), K167 (= K177), K169 (= K179), D198 (= D208), N200 (= N210), E224 (= E234), G249 (= G259), E250 (= E260), Q271 (≠ M281), D273 (= D283), H300 (= H310), G301 (≠ F311), M302 (≠ V312), W317 (= W328), E319 (= E330)
- binding magnesium ion: D198 (= D208), E224 (= E234), E250 (= E260)
Sites not aligning to the query:
3sjnA Crystal structure of enolase spea_3858 (target efi-500646) from shewanella pealeana with magnesium bound
31% identity, 78% coverage: 69:366/380 of query aligns to 58:366/373 of 3sjnA
- active site: T139 (= T149), K165 (= K177), G167 (≠ K179), M171 (vs. gap), D198 (= D208), A200 (≠ N210), E225 (= E234), I247 (≠ V256), G250 (= G259), E251 (= E260), S252 (≠ M261), Q272 (≠ M281), D274 (= D283), H301 (= H310), G302 (vs. gap), F303 (vs. gap), M325 (≠ V329), E326 (= E330), Q329 (≠ E333), S331 (≠ L335)
- binding magnesium ion: D198 (= D208), E225 (= E234), E251 (= E260)
Sites not aligning to the query:
3sqsA Crystal structure of a putative mandelate racemase/muconate lactonizing protein from dinoroseobacter shibae dfl 12
31% identity, 84% coverage: 45:364/380 of query aligns to 44:376/386 of 3sqsA
- active site: L62 (≠ R65), N65 (≠ G68), S147 (≠ T149), K173 (= K177), R175 (≠ K179), G177 (= G181), G179 (≠ P183), K181 (≠ R185), A185 (vs. gap), E210 (≠ D208), Y212 (≠ N210), E236 (= E234), G261 (= G259), E262 (= E260), H263 (≠ M261), Q283 (≠ M281), D285 (= D283), I307 (= I305), H312 (= H310), G314 (≠ V312), E332 (= E330), F337 (vs. gap)
- binding magnesium ion: E210 (≠ D208), E236 (= E234), E262 (= E260), Y347 (≠ E336), F350 (= F339), D351 (≠ R340)
3stpA Crystal structure of a putative galactonate dehydratase
33% identity, 76% coverage: 79:365/380 of query aligns to 80:381/390 of 3stpA
- active site: S151 (≠ T149), K177 (= K177), R179 (vs. gap), P189 (= P183), E214 (≠ D208), Y216 (≠ N210), E240 (= E234), G265 (= G259), E266 (= E260), H267 (≠ M261), Q287 (≠ M281), D289 (= D283), I311 (= I305), H316 (= H310), E336 (= E330), F341 (vs. gap)
- binding magnesium ion: E214 (≠ D208), E240 (= E234), E266 (= E260)
Sites not aligning to the query:
6vimA P. Putida mandelate racemase co-crystallized with phenylboronic acid (see paper)
28% identity, 94% coverage: 10:368/380 of query aligns to 4:353/357 of 6vimA
- active site: V20 (= V26), S137 (≠ T149), K162 (= K177), K164 (= K179), D193 (= D208), N195 (= N210), E219 (= E234), G244 (= G259), E245 (= E260), D268 (= D283), H295 (= H310), L296 (≠ F311), F297 (≠ V312), E315 (= E330)
- binding magnesium ion: D193 (= D208), E219 (= E234), E245 (= E260)
- binding phenyl boronic acid: V20 (= V26), K162 (= K177), K164 (= K179), D193 (= D208), E245 (= E260), H295 (= H310), L296 (≠ F311), E315 (= E330), L317 (≠ F332)
4x2pA P. Putida mandelate racemase in complex with 3-hydroxypyruvate (see paper)
28% identity, 94% coverage: 10:368/380 of query aligns to 4:353/357 of 4x2pA
- active site: V20 (= V26), S137 (≠ T149), K162 (= K177), K164 (= K179), D193 (= D208), N195 (= N210), E219 (= E234), G244 (= G259), E245 (= E260), D268 (= D283), M292 (= M307), H295 (= H310), L296 (≠ F311), F297 (≠ V312), A311 (= A326), E315 (= E330)
- binding 3-hydroxypyruvic acid: K162 (= K177), K164 (= K179), D193 (= D208), H295 (= H310), E315 (= E330)
- binding magnesium ion: D193 (= D208), E219 (= E234), E245 (= E260)
4m6uA P. Putida mandelate racemase co-crystallized with tartronic acid (see paper)
28% identity, 94% coverage: 10:368/380 of query aligns to 4:353/357 of 4m6uA
- active site: V20 (= V26), S137 (≠ T149), K162 (= K177), K164 (= K179), D193 (= D208), N195 (= N210), E219 (= E234), G244 (= G259), E245 (= E260), D268 (= D283), M292 (= M307), H295 (= H310), L296 (≠ F311), F297 (≠ V312), A311 (= A326), E315 (= E330)
- binding magnesium ion: D193 (= D208), E219 (= E234), E245 (= E260)
- binding tartronate: K162 (= K177), K164 (= K179), D193 (= D208), E245 (= E260), H295 (= H310), E315 (= E330)
4fp1A P. Putida mandelate racemase co-crystallized with 3,3,3-trifluoro-2- hydroxy-2-(trifluoromethyl) propionic acid (see paper)
28% identity, 94% coverage: 10:368/380 of query aligns to 4:353/357 of 4fp1A
- active site: V20 (= V26), S137 (≠ T149), K162 (= K177), K164 (= K179), D193 (= D208), N195 (= N210), E219 (= E234), G244 (= G259), E245 (= E260), D268 (= D283), M292 (= M307), H295 (= H310), L296 (≠ F311), F297 (≠ V312), A311 (= A326), E315 (= E330)
- binding 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid: V20 (= V26), K164 (= K179), H295 (= H310), L296 (≠ F311)
- binding magnesium ion: D193 (= D208), E219 (= E234), E245 (= E260)
3uxlA P. Putida mandelate racemase co-crystallized with the intermediate analogue cupferron (see paper)
28% identity, 94% coverage: 10:368/380 of query aligns to 4:353/357 of 3uxlA
- active site: V20 (= V26), S137 (≠ T149), K162 (= K177), K164 (= K179), D193 (= D208), N195 (= N210), E219 (= E234), G244 (= G259), E245 (= E260), D268 (= D283), M292 (= M307), H295 (= H310), L296 (≠ F311), F297 (≠ V312), A311 (= A326), E315 (= E330)
- binding 1-hydroxy-2-oxo-1-phenylhydrazine: K162 (= K177), K164 (= K179), D193 (= D208), N195 (= N210), E245 (= E260), H295 (= H310)
- binding magnesium ion: D193 (= D208), E219 (= E234), E245 (= E260)
3uxkA P. Putida mandelate racemase co-crystallized with the intermediate analogue benzohydroxamate (see paper)
28% identity, 94% coverage: 10:368/380 of query aligns to 4:353/357 of 3uxkA
- active site: V20 (= V26), S137 (≠ T149), K162 (= K177), K164 (= K179), D193 (= D208), N195 (= N210), E219 (= E234), G244 (= G259), E245 (= E260), D268 (= D283), M292 (= M307), H295 (= H310), L296 (≠ F311), F297 (≠ V312), A311 (= A326), E315 (= E330)
- binding benzhydroxamic acid: V20 (= V26), K162 (= K177), K164 (= K179), D193 (= D208), N195 (= N210), E245 (= E260), H295 (= H310), L317 (≠ F332)
- binding magnesium ion: D193 (= D208), E219 (= E234), E245 (= E260)
2mnrA Mechanism of the reaction catalyzed by mandelate racemase. 2. Crystal structure of mandelate racemase at 2.5 angstroms resolution: identification of the active site and possible catalytic residues (see paper)
28% identity, 94% coverage: 10:368/380 of query aligns to 4:353/357 of 2mnrA
- active site: V20 (= V26), S137 (≠ T149), K162 (= K177), K164 (= K179), D193 (= D208), N195 (= N210), E219 (= E234), G244 (= G259), E245 (= E260), D268 (= D283), M292 (= M307), H295 (= H310), L296 (≠ F311), F297 (≠ V312), A311 (= A326), E315 (= E330)
- binding manganese (ii) ion: D193 (= D208), E219 (= E234), E245 (= E260)
Query Sequence
>GFF368 FitnessBrowser__psRCH2:GFF368
MSDLYEADRISWIGLRAVELPLQRPVSDAKVLTGRQLPLASVSLLFVELQSQQGHKGLGF
SYSLRSGGPAQYAHARELAPLLLGEDPNDIARLWSRLSWASASIGRGGLAVQSIAAFDTA
LWDLKARRAGLPLAKLLGAHRDAVPCYNTSGGYLQAPIEEVIEKAEASRARGIGGIKLKV
GQPDRHADLRRVEALRKHFGDGVALMVDVNQQWDRTTAARMGRALEEFELTWIEEPLDAH
DLEGHAALAAQLITPVGTGEMLGSAAEACAFIERGAVDVIMHDAPRIGGITPFLQVAEAA
RRRGIVMAPHFVMELHIHLAAAYEHATWVEHFEWLEPLFRERLEIRDGCMQVPTRAGLGL
SLSEQVAGWTLASETFGTKP
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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