SitesBLAST
Comparing BWI76_RS22825 FitnessBrowser__Koxy:BWI76_RS22825 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)
P0AES2 Glucarate dehydratase; GDH; GlucD; D-glucarate dehydratase; EC 4.2.1.40 from Escherichia coli (strain K12) (see 3 papers)
97% identity, 100% coverage: 1:446/446 of query aligns to 1:446/446 of P0AES2
- M1 (= M1) modified: Initiator methionine, Removed
- Y150 (= Y150) mutation to F: Reduces activity 100-fold.
- K207 (= K207) active site, Proton acceptor; mutation to Q: Reduces activity 1000-fold.; mutation to R: Reduces activity 10000-fold.
- D235 (= D235) binding
- E266 (= E266) binding
- N289 (= N289) binding
- H339 (= H339) active site, Proton acceptor; mutation to A: Loss of activity.; mutation to N: Reduces activity 10000-fold.; mutation to Q: Reduces activity 1000-fold.
- N341 (= N341) mutation to D: Inactive in the dehydration reaction of D-glucarate, L-idarate, and 4F-Gluc.; mutation to L: Almost no effect on the dehydration reaction of D-glucarate, L-idarate, and 4F-Gluc.
- D366 (= D366) mutation D->A,N: Reduces activity over 100-fold.
1ecqA E. Coli glucarate dehydratase bound to 4-deoxyglucarate (see paper)
97% identity, 100% coverage: 3:446/446 of query aligns to 1:444/444 of 1ecqA
- active site: K203 (= K205), K205 (= K207), D233 (= D235), N235 (= N237), E258 (= E260), N287 (= N289), M288 (= M290), D311 (= D313), H337 (= H339), N339 (= N341), I363 (= I365)
- binding 4-deoxyglucarate: N25 (= N27), H30 (= H32), T101 (= T103), Y148 (= Y150), F150 (= F152), K205 (= K207), D233 (= D235), N235 (= N237), N287 (= N289), H337 (= H339), S338 (= S340), N339 (= N341), H366 (= H368), R420 (= R422)
- binding magnesium ion: D233 (= D235), E258 (= E260), N287 (= N289)
1ec9D E. Coli glucarate dehydratase bound to xylarohydroxamate (see paper)
97% identity, 100% coverage: 3:446/446 of query aligns to 1:444/444 of 1ec9D
- active site: K203 (= K205), K205 (= K207), D233 (= D235), N235 (= N237), E258 (= E260), N287 (= N289), M288 (= M290), D311 (= D313), H337 (= H339), N339 (= N341), I363 (= I365)
- binding magnesium ion: D233 (= D235), E258 (= E260), N287 (= N289)
- binding xylarohydroxamate: H30 (= H32), T101 (= T103), Y148 (= Y150), F150 (= F152), K205 (= K207), D233 (= D235), N235 (= N237), N287 (= N289), H337 (= H339), S338 (= S340), N339 (= N341), H366 (= H368), R420 (= R422)
1ec8A E. Coli glucarate dehydratase bound to product 2,3-dihydroxy-5-oxo- hexanedioate (see paper)
97% identity, 99% coverage: 5:446/446 of query aligns to 1:442/442 of 1ec8A
- active site: K201 (= K205), K203 (= K207), D231 (= D235), N233 (= N237), E256 (= E260), N285 (= N289), M286 (= M290), D309 (= D313), H335 (= H339), N337 (= N341), I361 (= I365)
- binding 2,3-dihydroxy-5-oxo-hexanedioate: N23 (= N27), H28 (= H32), T99 (= T103), Y146 (= Y150), K203 (= K207), D231 (= D235), N233 (= N237), N285 (= N289), H335 (= H339), S336 (= S340), N337 (= N341), H364 (= H368), R418 (= R422)
- binding magnesium ion: D231 (= D235), E256 (= E260), N285 (= N289)
1jctA Glucarate dehydratase, n341l mutant orthorhombic form (see paper)
97% identity, 99% coverage: 4:446/446 of query aligns to 1:443/443 of 1jctA
- active site: K202 (= K205), K204 (= K207), D232 (= D235), N234 (= N237), E257 (= E260), N286 (= N289), M287 (= M290), D310 (= D313), H336 (= H339), L338 (≠ N341), I362 (= I365)
- binding d-glucarate: N24 (= N27), H29 (= H32), T100 (= T103), Y147 (= Y150), F149 (= F152), K204 (= K207), D232 (= D235), N286 (= N289), S337 (= S340), R419 (= R422)
- binding magnesium ion: D232 (= D235), E257 (= E260), N286 (= N289)
3p0wB Crystal structure of d-glucarate dehydratase from ralstonia solanacearum complexed with mg and d-glucarate
67% identity, 98% coverage: 7:444/446 of query aligns to 2:428/428 of 3p0wB
- active site: K189 (= K205), K191 (= K207), D219 (= D235), N221 (= N237), E244 (= E260), N273 (= N289), D297 (= D313), H323 (= H339), N325 (= N341)
- binding d-glucarate: H27 (= H32), Y134 (= Y150), K191 (= K207), D219 (= D235), N221 (= N237), N273 (= N289), H323 (= H339), N325 (= N341), H352 (= H368), R406 (= R422)
- binding magnesium ion: D219 (= D235), E244 (= E260), N273 (= N289)
3nxlC Crystal structure of glucarate dehydratase from burkholderia cepacia complexed with magnesium
64% identity, 98% coverage: 7:442/446 of query aligns to 2:422/425 of 3nxlC
3nfuA Crystal structure of probable glucarate dehydratase from chromohalobacter salexigens dsm 3043 complexed with magnesium
59% identity, 98% coverage: 8:445/446 of query aligns to 3:440/441 of 3nfuA
- active site: K201 (= K205), K203 (= K207), D231 (= D235), N233 (= N237), E256 (= E260), N285 (= N289), D309 (= D313), H335 (= H339), N337 (= N341)
- binding magnesium ion: D231 (= D235), N233 (= N237), E256 (= E260), D257 (= D261), N285 (= N289)
3n6hB Crystal structure of mandelate racemase/muconate lactonizing protein from actinobacillus succinogenes 130z complexed with magnesium/sulfate
60% identity, 99% coverage: 6:446/446 of query aligns to 2:430/432 of 3n6hB
- active site: K189 (= K205), K191 (= K207), D219 (= D235), N221 (= N237), E244 (= E260), N273 (= N289), D297 (= D313), H323 (= H339), N325 (= N341)
- binding magnesium ion: D219 (= D235), E244 (= E260), N273 (= N289)
3pfrA Crystal structure of d-glucarate dehydratase related protein from actinobacillus succinogenes complexed with d-glucarate
60% identity, 99% coverage: 6:446/446 of query aligns to 1:426/426 of 3pfrA
- active site: K185 (= K205), K187 (= K207), D215 (= D235), N217 (= N237), E240 (= E260), N269 (= N289), D293 (= D313), H319 (= H339), N321 (= N341)
- binding d-glucarate: N22 (= N27), H27 (= H32), Y130 (= Y150), F132 (= F152), K187 (= K207), D215 (= D235), N217 (= N237), N269 (= N289), H319 (= H339), S320 (= S340), N321 (= N341), H348 (= H368)
- binding magnesium ion: D215 (= D235), E240 (= E260), N269 (= N289)
4it1D Crystal structure of enolase pfl01_3283 (target efi-502286) from pseudomonas fluorescens pf0-1 with bound magnesium, potassium and tartrate
36% identity, 97% coverage: 5:435/446 of query aligns to 1:420/427 of 4it1D
- active site: S51 (≠ I55), D54 (≠ G58), A98 (≠ L101), Y150 (= Y150), K194 (= K205), K196 (= K207), D224 (= D235), N226 (= N237), Y247 (= Y258), E249 (= E260), T271 (= T288), N272 (= N289), M273 (= M290), D296 (= D313), H323 (= H339), S324 (= S340), N325 (= N341), C349 (≠ I365), D350 (= D366)
- binding magnesium ion: D224 (= D235), E249 (= E260), N272 (= N289)
3va8A Crystal structure of enolase fg03645.1 (target efi-502278) from gibberella zeae ph-1 complexed with magnesium, formate and sulfate
34% identity, 97% coverage: 9:442/446 of query aligns to 12:425/427 of 3va8A
3vc6A Crystal structure of enolase tbis_1083(target efi-502310) from thermobispora bispora dsm 43833 complexed with magnesium and formate
34% identity, 96% coverage: 9:436/446 of query aligns to 3:414/420 of 3vc6A
- active site: D52 (≠ G58), H55 (vs. gap), Y146 (= Y150), K188 (= K205), K190 (= K207), D218 (= D235), N220 (= N237), E243 (= E260), N266 (= N289), M267 (= M290), D290 (= D313), H317 (= H339), S318 (= S340), N319 (= N341), H321 (= H343), C343 (≠ I365), D344 (= D366)
- binding magnesium ion: D218 (= D235), E243 (= E260), N266 (= N289)
4hpnA Crystal structure of a proposed galactarolactone cycloisomerase from agrobacterium tumefaciens, target efi-500704, with bound ca, ordered loops (see paper)
24% identity, 83% coverage: 40:409/446 of query aligns to 33:372/378 of 4hpnA
- active site: G50 (= G57), R53 (≠ K60), T134 (≠ V154), K164 (= K205), K166 (= K207), D194 (= D235), N196 (= N237), E220 (= E260), G245 (≠ N289), E246 (≠ M290), T247 (≠ I291), Q267 (≠ L311), D269 (= D313), H296 (= H339), V297 (≠ S340), W298 (vs. gap), R320 (≠ K361), E329 (vs. gap), F330 (vs. gap), H334 (= H368)
- binding calcium ion: D194 (= D235), D209 (≠ K250), E220 (= E260), G237 (≠ A281), E246 (≠ M290)
Sites not aligning to the query:
3u4fA Crystal structure of a mandelate racemase (muconate lactonizing enzyme family protein) from roseovarius nubinhibens
27% identity, 65% coverage: 113:402/446 of query aligns to 87:356/371 of 3u4fA
- active site: S122 (≠ E146), K150 (= K205), R152 (≠ K207), D162 (≠ E215), D188 (= D235), N190 (= N237), F213 (≠ A259), E214 (= E260), D235 (≠ R280), G239 (≠ L284), E240 (≠ P285), Q261 (≠ D313), D263 (≠ H315), H290 (= H339), A292 (≠ N341), N293 (= N342), K313 (= K361), E316 (≠ A364), I319 (vs. gap), G321 (vs. gap)
- binding magnesium ion: D188 (= D235), E214 (= E260), S229 (≠ M275), L232 (≠ F278), E240 (≠ P285)
Sites not aligning to the query:
3dg6A Crystal structure of muconate lactonizing enzyme from mucobacterium smegmatis complexed with muconolactone (see paper)
25% identity, 65% coverage: 116:407/446 of query aligns to 102:360/366 of 3dg6A
- active site: M134 (= M147), K160 (= K205), K162 (= K207), D191 (= D235), N193 (= N237), E217 (= E260), D242 (≠ A281), E243 (≠ T282), S244 (≠ G283), K266 (≠ P310), G292 (≠ N341), N293 (= N342), Q294 (≠ H343), G319 (≠ H368), E320 (≠ W369), L321 (≠ I370)
- binding magnesium ion: D191 (= D235), E217 (= E260), D242 (≠ A281)
- binding [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid: M134 (= M147), K160 (= K205), K162 (= K207), D191 (= D235), N193 (= N237), D242 (≠ A281), K266 (≠ P310), N293 (= N342), Q294 (≠ H343), I295 (≠ F344)
Sites not aligning to the query:
2gghC The mutant a68c-d72c-nlq of deinococcus radiodurans nacylamino acid racemase (see paper)
24% identity, 74% coverage: 89:417/446 of query aligns to 80:368/370 of 2gghC
- active site: Y95 (≠ F104), S137 (vs. gap), K163 (≠ D203), K165 (= K205), R186 (= R231), T188 (= T233), D190 (= D235), N192 (= N237), E215 (= E260), D240 (≠ P285), E241 (≠ T286), S242 (≠ A287), K264 (≠ A312), C290 (≠ S338), G291 (≠ H339), G292 (≠ S340), M293 (≠ N341), G316 (= G360), D317 (≠ K361), T318 (≠ I362)
- binding magnesium ion: D190 (= D235), E215 (= E260)
- binding n~2~-acetyl-l-glutamine: G292 (≠ S340), M293 (≠ N341), L294 (≠ N342)
Sites not aligning to the query:
3t8qB Crystal structure of mandelate racemase/muconate lactonizing enzyme family protein from hoeflea phototrophica
26% identity, 49% coverage: 183:402/446 of query aligns to 125:353/369 of 3t8qB
- active site: K147 (= K205), R149 (≠ K207), D159 (≠ A217), D185 (vs. gap), N187 (= N237), E211 (= E260), G236 (≠ L284), E237 (≠ P285), D239 (≠ A287), Q258 (≠ L311), D260 (= D313), H287 (= H339), A288 (≠ S340), A289 (≠ N341), K310 (= K361), E313 (≠ A364)
- binding magnesium ion: D185 (vs. gap), E211 (= E260), E237 (≠ P285)
Sites not aligning to the query:
3tcsB Crystal structure of a putative racemase from roseobacter denitrificans
24% identity, 67% coverage: 113:411/446 of query aligns to 83:361/367 of 3tcsB
- active site: S118 (≠ E146), K146 (= K205), R148 (≠ K207), D158 (≠ A217), D184 (= D235), N186 (= N237), E210 (= E260), D231 (vs. gap), G235 (vs. gap), E236 (≠ R279), Q257 (≠ D313), D259 (≠ H315), H286 (= H339), A288 (≠ N341), N289 (= N342), K309 (= K361), E312 (≠ A364), I315 (≠ T367), G317 (vs. gap)
- binding d-alanine: M120 (≠ L148), K146 (= K205), R148 (≠ K207), D184 (= D235), N186 (= N237), E236 (≠ R279), H286 (= H339), E312 (≠ A364)
- binding magnesium ion: D184 (= D235), E210 (= E260), T225 (≠ M275), L228 (≠ F278), E236 (≠ R279)
Sites not aligning to the query:
5olcC Crystal structure of the 3,6-anhydro-d-galactonate cycloisomerase from zobellia galactanivorans (see paper)
24% identity, 48% coverage: 196:407/446 of query aligns to 139:345/351 of 5olcC
- active site: K148 (= K205), K150 (= K207), D178 (= D235), N180 (= N237), E204 (= E260), G229 (≠ N289), E230 (≠ A292), D253 (≠ H315), H280 (vs. gap), E304 (≠ A364), E309 (= E373)
- binding magnesium ion: D178 (= D235), E204 (= E260), E230 (≠ A292)
Query Sequence
>BWI76_RS22825 FitnessBrowser__Koxy:BWI76_RS22825
MSAQFSTPVVSSMQVIPVAGHDSMLMNLSGAHAPFFTRNIVVIKDNSGHTGVGEIPGGEK
IRKTLEDAIPLVVGKTLGEYKNVLTAVRNTFADRDAGGRGLQTFDLRTTIHVVTGIEAAM
LDLLGQHLGVNVASLLGDGQQRSEVEMLGYLFFVGNRKATPLPYQSQPDDKCDWYRLRHD
EAMTPDAVVRLAEAAYEKYGFNDFKLKGGVLAGEEEAESIVALAKRFPQARVTLDPNGAW
SLNEAIKIGKYLKGSLAYAEDPCGAEQGFSGREVMAEFRRATGLPTATNMIATDWRQMGH
TLSLQSVDIPLADPHFWTMQGSVRVAQMCHEFGLTWGSHSNNHFDISLAMFTHVAAAAPG
KITAIDTHWIWQEGNQRLTKEPFEIKGGMVQVPAKPGLGVELDMDQVMKAHELYQKHGLG
ARDDAMGMQYLIPNWTFDNKRPCMVR
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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