SitesBLAST
Comparing 199958 FitnessBrowser__MR1:199958 to proteins with known functional sites using BLASTp with E ≤ 0.001.
Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures
Found 20 (the maximum) hits to proteins with known functional sites (download)
5bt9C Crystal structure of folm alternative dihydrofolate reductase 1 from brucella canis complexed with NADP (see paper)
27% identity, 99% coverage: 2:238/239 of query aligns to 7:242/250 of 5bt9C
- active site: R18 (= R13), I140 (= I136), Y155 (= Y151), K159 (= K155)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: R18 (= R13), I19 (= I14), C38 (≠ T32), N39 (≠ Y33), R40 (= R34), S41 (= S35), L66 (≠ F55), E67 (≠ N58), N90 (= N80), S92 (= S82), I140 (= I136), K159 (= K155), P184 (= P180), G185 (≠ A181), T187 (≠ I183), L188 (= L184)
6j7uA Crystal structure of blue fluorescent protein from metagenomic library in complex with NADPH (see paper)
31% identity, 96% coverage: 7:235/239 of query aligns to 10:244/247 of 6j7uA
- active site: G16 (≠ R13), S142 (≠ D138), Y156 (= Y151)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G9), S14 (≠ G11), R15 (≠ K12), I17 (= I14), Y36 (= Y33), V37 (≠ R34), S38 (= S35), S41 (≠ P38), D65 (= D54), S66 (≠ F55), N92 (= N80), A93 (= A81), G94 (≠ S82), I115 (≠ V104), G141 (≠ T137), S142 (≠ D138), Y156 (= Y151), K160 (= K155), P186 (= P180), T191 (vs. gap), M193 (≠ F185), N194 (= N186)
P0A2C9 3-oxoacyl-[acyl-carrier-protein] reductase FabG; 3-ketoacyl-acyl carrier protein reductase; Beta-Ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; EC 1.1.1.100 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see paper)
27% identity, 97% coverage: 6:238/239 of query aligns to 9:243/244 of P0A2C9
- M125 (≠ L120) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
- A223 (≠ L220) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
- S224 (≠ N221) mutation to F: Distorts the local conformation and prevent stacking around Phe-221. The S224F mutation would additionally disrupt the hydrogen bond formed between Ser-224 and Glu-226.
5iz4A Crystal structure of a putative short-chain dehydrogenase/reductase from burkholderia xenovorans
30% identity, 91% coverage: 2:219/239 of query aligns to 4:226/247 of 5iz4A
- active site: G15 (≠ R13), S150 (≠ D138), S159 (≠ K147), Y163 (= Y151), K167 (= K155)
- binding adenosine-5'-diphosphate: G11 (= G9), S14 (≠ K12), G15 (≠ R13), I16 (= I14), F36 (≠ Y33), A63 (≠ C53), D64 (= D54), V65 (≠ F55), A92 (vs. gap), G93 (vs. gap), V117 (= V104)
1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
27% identity, 97% coverage: 6:238/239 of query aligns to 8:242/243 of 1q7bA
- active site: G15 (≠ R13), E101 (≠ V97), S137 (≠ D138), Q147 (≠ H148), Y150 (= Y151), K154 (= K155)
- binding calcium ion: E232 (≠ R228), T233 (≠ S229)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G9), S13 (≠ G11), R14 (≠ K12), T36 (≠ R34), N58 (≠ D54), V59 (≠ F55), N85 (= N80), A86 (= A81), G87 (≠ S82), I88 (≠ W84), S137 (≠ D138), Y150 (= Y151), K154 (= K155), P180 (= P180), G181 (≠ A181), I183 (= I183)
P0AEK2 3-oxoacyl-[acyl-carrier-protein] reductase FabG; 3-ketoacyl-acyl carrier protein reductase; Beta-Ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; EC 1.1.1.100 from Escherichia coli (strain K12) (see 2 papers)
27% identity, 97% coverage: 6:238/239 of query aligns to 9:243/244 of P0AEK2
- GASR 12:15 (≠ GVGK 9:12) binding
- T37 (≠ R34) binding
- NV 59:60 (≠ DF 54:55) binding
- N86 (= N80) binding
- Y151 (= Y151) mutation to F: Defect in the affinity for NADPH.
- YAAAK 151:155 (≠ YAASK 151:155) binding
- A154 (≠ S154) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
- K155 (= K155) mutation to A: Defect in the affinity for NADPH.
- I184 (= I183) binding
- E233 (≠ R228) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.
1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
27% identity, 97% coverage: 6:238/239 of query aligns to 8:242/243 of 1q7cA
- active site: G15 (≠ R13), S137 (≠ D138), Q147 (≠ H148), F150 (≠ Y151), K154 (= K155)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G9), S13 (≠ G11), R14 (≠ K12), A35 (≠ Y33), T36 (≠ R34), L57 (≠ C53), N58 (≠ D54), V59 (≠ F55), G87 (≠ S82), I88 (≠ W84)
6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
27% identity, 97% coverage: 6:238/239 of query aligns to 9:243/244 of 6t77A
- active site: G16 (≠ R13), S138 (≠ D138), Y151 (= Y151)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G9), S14 (≠ G11), R15 (≠ K12), T37 (≠ R34), L58 (≠ C53), N59 (≠ D54), V60 (≠ F55), A87 (= A81), G88 (≠ S82), I89 (≠ W84)
4b79A The aeropath project and pseudomonas aeruginosa high-throughput crystallographic studies for assessment of potential targets in early stage drug discovery. (see paper)
29% identity, 97% coverage: 5:235/239 of query aligns to 13:232/236 of 4b79A
- active site: G21 (≠ R13), S133 (≠ D138), R143 (≠ H148), Y146 (= Y151), K150 (= K155)
- binding nicotinamide-adenine-dinucleotide: G17 (= G9), S19 (≠ G11), S20 (≠ K12), G21 (≠ R13), I22 (= I14), L42 (vs. gap), L60 (= L43), D61 (= D54), I62 (≠ F55), N84 (= N80), G86 (≠ S82), L105 (≠ M101), I131 (= I136), Y146 (= Y151), K150 (= K155), P176 (= P180), G177 (≠ A181), I179 (= I183), T181 (≠ F185)
6rxcA Leishmania major pteridine reductase 1 (lmptr1) in complex with inhibitor 4 (nmt-c0026) (see paper)
24% identity, 99% coverage: 2:238/239 of query aligns to 1:260/263 of 6rxcA
- active site: R13 (= R13), D159 (= D138), Y172 (= Y151)
- binding methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate: S100 (≠ P90), F102 (= F92), L166 (≠ S145), Y169 (≠ H148), Y172 (= Y151), L204 (≠ M182)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: R13 (= R13), L14 (≠ I14), H32 (≠ T32), Y33 (= Y33), H34 (≠ Y37), R35 (≠ P38), S36 (= S39), L62 (≠ F55), N98 (= N88), A99 (≠ S89), S100 (≠ P90), S101 (≠ E91), S124 (≠ V104), M157 (≠ I136), D159 (= D138), K176 (= K155), P202 (= P180), S205 (vs. gap)
5gwrA 4-hydroxyisoleucine dehydrogenase complexed with nadh (see paper)
24% identity, 97% coverage: 5:235/239 of query aligns to 4:238/243 of 5gwrA
- active site: G12 (≠ R13), S134 (≠ D138), Y147 (= Y151), K151 (= K155)
- binding nicotinamide-adenine-dinucleotide: G8 (= G9), S11 (≠ K12), G12 (≠ R13), I13 (= I14), D32 (≠ Y33), I33 (≠ R34), I53 (≠ C53), L55 (≠ F55), A81 (= A81), G83 (≠ D83), I84 (≠ L85), I132 (= I136), S134 (≠ D138), Y147 (= Y151), K151 (= K155), P177 (= P180), G178 (≠ A181), I180 (= I183), T182 (≠ F185), L184 (≠ P187), T185 (≠ S188)
5l42A Leishmania major pteridine reductase 1 (ptr1) in complex with compound 3 (see paper)
24% identity, 99% coverage: 2:238/239 of query aligns to 1:262/265 of 5l42A
- active site: R13 (= R13), D158 (= D138), Y171 (= Y151)
- binding (2~{R})-2-[3,4-bis(oxidanyl)phenyl]-6-oxidanyl-2,3-dihydrochromen-4-one: F102 (= F92), Y171 (= Y151), G202 (≠ A181), L203 (≠ M182), Y260 (≠ R236)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: R13 (= R13), L14 (≠ I14), H32 (≠ T32), Y33 (= Y33), H34 (≠ Y37), R35 (≠ P38), S36 (= S39), L62 (≠ F55), N98 (= N88), A99 (≠ S89), S100 (≠ P90), S101 (≠ E91), M156 (≠ I136), D158 (= D138), K175 (= K155), L203 (≠ M182), S204 (≠ I183)
7pxxA The crystal structure of leishmania major pteridine reductase 1 in complex with substrate folic acid (see paper)
24% identity, 99% coverage: 2:238/239 of query aligns to 1:261/264 of 7pxxA
- binding folic acid: S100 (≠ P90), F102 (= F92), L164 (≠ S145), Y167 (≠ H148), Y170 (= Y151), L202 (≠ M182), H217 (≠ Y193)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: R13 (= R13), L14 (≠ I14), H32 (≠ T32), Y33 (= Y33), H34 (≠ Y37), R35 (≠ P38), S36 (= S39), L62 (≠ F55), N98 (= N88), A99 (≠ S89), S100 (≠ P90), S101 (≠ E91), M155 (≠ I136), V156 (≠ T137), D157 (= D138), Y170 (= Y151), K174 (= K155), P200 (= P180), G201 (≠ A181), S203 (≠ I183)
2qhxA Structure of pteridine reductase from leishmania major complexed with a ligand (see paper)
24% identity, 99% coverage: 2:238/239 of query aligns to 1:261/264 of 2qhxA
- active site: R13 (= R13), R35 (≠ P38), N41 (≠ Q44), N97 (≠ D87), D157 (= D138), Q162 (≠ K143), Y170 (= Y151)
- binding methyl 1-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)piperidine-4-carboxylate: S100 (≠ P90), F102 (= F92), L164 (≠ S145), Y170 (= Y151)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: R13 (= R13), L14 (≠ I14), H32 (≠ T32), Y33 (= Y33), H34 (≠ Y37), R35 (≠ P38), S36 (= S39), L62 (≠ F55), N98 (= N88), A99 (≠ S89), S100 (≠ P90), S101 (≠ E91), M155 (≠ I136), V156 (≠ T137), K174 (= K155), P200 (= P180), L202 (≠ M182), S203 (≠ I183)
1mxfA Crystal structure of inhibitor complex of putative pteridine reductase 2 (ptr2) from trypanosoma cruzi (see paper)
26% identity, 96% coverage: 6:235/239 of query aligns to 5:241/247 of 1mxfA
- active site: R12 (= R13), D140 (= D138), Y153 (= Y151), K157 (= K155)
- binding methotrexate: R12 (= R13), S93 (≠ P90), Y95 (≠ F92), Y153 (= Y151), P189 (≠ N186), M192 (vs. gap), Y200 (= Y193)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: R12 (= R13), R33 (= R34), H34 (≠ S35), S35 (≠ H36), L61 (≠ F55), N91 (= N88), S93 (≠ P90), E111 (≠ V108), L138 (≠ I136), K157 (= K155), P183 (= P180), G184 (≠ A181), S186 (≠ I183)
4ag3A Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase (fabg) from pseudomonas aeruginosa in complex with NADPH at 1.8a resolution (see paper)
26% identity, 97% coverage: 6:238/239 of query aligns to 16:253/254 of 4ag3A
- active site: G23 (≠ R13), S148 (≠ D138), Y161 (= Y151), K165 (= K155)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G19 (= G9), S21 (≠ G11), R22 (≠ K12), G23 (≠ R13), I24 (= I14), T44 (≠ R34), L68 (≠ C53), D69 (= D54), V70 (≠ F55), N96 (≠ A81), A97 (≠ S82), I146 (= I136), S148 (≠ D138), Y161 (= Y151), K165 (= K155), P191 (= P180), G192 (≠ A181), F193 (≠ M182), I194 (= I183), T196 (≠ F185), M198 (≠ P187), T199 (≠ S188)
1p33B Pteridine reductase from leishmania tarentolae complex with NADPH and mtx (see paper)
24% identity, 99% coverage: 2:238/239 of query aligns to 3:266/269 of 1p33B
- active site: R15 (= R13), D162 (= D138), Y175 (= Y151)
- binding methotrexate: R15 (= R13), S103 (≠ P90), F105 (= F92), Y172 (≠ H148), Y175 (= Y151), L207 (≠ M182), P211 (= P187), M214 (vs. gap)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: R15 (= R13), L16 (≠ I14), H36 (= H36), R37 (≠ Y37), S38 (≠ P38), D63 (= D54), L64 (≠ F55), N101 (= N88), A102 (≠ S89), S103 (≠ P90), S104 (≠ E91), M160 (≠ I136), V161 (≠ T137), K179 (= K155), G206 (≠ A181), S208 (≠ I183), V209 (≠ L184)
6tbxC Trypanosoma brucei ptr1 (tbptr1) in complex with a tricyclic-based inhibitor (see paper)
26% identity, 97% coverage: 6:238/239 of query aligns to 6:236/239 of 6tbxC
- active site: R13 (= R13), D142 (= D138), Y155 (= Y151), K159 (= K155)
- binding 2,4-bis(azanyl)-9~{H}-pyrimido[4,5-b]indol-6-ol: S94 (≠ P90), F96 (= F92), Y155 (= Y151)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: R13 (= R13), I14 (= I14), H32 (≠ T32), Y33 (= Y33), H34 (≠ R34), N35 (≠ S35), S36 (≠ H36), D61 (= D54), L62 (≠ F55), N92 (= N88), A93 (≠ S89), S94 (≠ P90), T116 (vs. gap), L140 (≠ I136), D142 (= D138), K159 (= K155), P185 (= P180), G186 (≠ A181), S188 (= S188)
2bfaC Leishmania major pteridine reductase 1 in complex with NADP and cb3717 (see paper)
24% identity, 97% coverage: 6:238/239 of query aligns to 5:250/253 of 2bfaC
- active site: R12 (= R13), D157 (= D138), Y170 (= Y151)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: R12 (= R13), L13 (≠ I14), H31 (≠ T32), Y32 (= Y33), H33 (≠ Y37), R34 (≠ P38), S35 (= S39), D60 (= D54), L61 (≠ F55), N97 (= N88), A98 (≠ S89), S99 (≠ P90), M155 (≠ I136), V156 (≠ T137), D157 (= D138), K174 (= K155), P200 (= P180), G201 (≠ A181), L202 (≠ M182), S203 (≠ I183)
2d1yA Crystal structure of tt0321 from thermus thermophilus hb8 (see paper)
24% identity, 97% coverage: 5:235/239 of query aligns to 8:235/240 of 2d1yA
- active site: G16 (≠ R13), S135 (≠ D138), N145 (≠ H148), Y148 (= Y151), K152 (= K155)
- binding nicotinamide-adenine-dinucleotide: G12 (= G9), R15 (≠ K12), I17 (= I14), D36 (≠ T32), L37 (≠ Y33), R38 (= R34), V55 (≠ C53), D56 (= D54), L57 (≠ F55), N83 (= N80), A84 (= A81), A85 (≠ S82), I86 (vs. gap), V133 (≠ I136), S135 (≠ D138), Y148 (= Y151), K152 (= K155), P178 (= P180), G179 (≠ A181), I181 (= I183), T183 (≠ F185), A185 (≠ P187), V186 (≠ S188)
Query Sequence
>199958 FitnessBrowser__MR1:199958
MTAPIIITGVGKRIGYALAKHLLAQGHKVIGTYRSHYPSIDELQSLGATLIQCDFYDNAQ
VQNLIEQLSQYPKFRAIIHNASDWLADNSPEFAAHEVMQRMIQVHVNVPYQMNLALASKL
QAGAEGEIGASDIIHITDYVAEKGSAKHIAYAASKAALDNLTLSFAAKLAPEVKVNAIAP
AMILFNPSDDEAYRQKTLAKAILPKEAGNHEIIELMEYLLNSRYVTGRSHHVDGGRHLR
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