SitesBLAST
Comparing 202371 SO3263 3-oxoacyl-(acyl-carrier-protein) reductase, putative (NCBI ptt file) 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)
3op4A Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from vibrio cholerae o1 biovar eltor str. N16961 in complex with NADP+ (see paper)
38% identity, 95% coverage: 14:254/255 of query aligns to 9:246/247 of 3op4A
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G20), S17 (= S22), R18 (= R23), I20 (= I25), T40 (≠ N46), N62 (≠ D68), V63 (≠ Q69), N89 (= N96), A90 (≠ G97), I92 (= I99), V139 (≠ I146), S141 (= S148), Y154 (= Y161), K158 (= K165), P184 (≠ I191), G185 (= G192), I187 (≠ V194), T189 (= T196), M191 (= M198)
4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
37% identity, 95% coverage: 14:254/255 of query aligns to 9:242/243 of 4i08A
- active site: G19 (= G24), N113 (= N120), S141 (= S148), Q151 (= Q158), Y154 (= Y161), K158 (= K165)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G20), S17 (= S22), R18 (= R23), I20 (= I25), T40 (≠ N46), N62 (≠ D68), V63 (≠ Q69), N89 (= N96), A90 (≠ G97), G140 (= G147), S141 (= S148), Y154 (= Y161), K158 (= K165), P184 (≠ I191), G185 (= G192), T189 (= T196)
6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
39% identity, 95% coverage: 14:254/255 of query aligns to 6:243/244 of 6t77A
- active site: G16 (= G24), S138 (= S148), Y151 (= Y161)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G20), S14 (= S22), R15 (= R23), T37 (≠ N46), L58 (= L67), N59 (≠ D68), V60 (≠ Q69), A87 (≠ G97), G88 (≠ A98), I89 (= I99)
4nbuB Crystal structure of fabg from bacillus sp (see paper)
39% identity, 94% coverage: 14:252/255 of query aligns to 8:242/244 of 4nbuB
- active site: G18 (= G24), N111 (= N120), S139 (= S148), Q149 (= Q158), Y152 (= Y161), K156 (= K165)
- binding acetoacetyl-coenzyme a: D93 (≠ E102), K98 (≠ D107), S139 (= S148), N146 (≠ G155), V147 (≠ Y156), Q149 (= Q158), Y152 (= Y161), F184 (≠ L193), M189 (= M198), K200 (≠ Q210)
- binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G20), N17 (≠ R23), G18 (= G24), I19 (= I25), D38 (≠ Y44), F39 (≠ L45), V59 (≠ L67), D60 (= D68), V61 (≠ Q69), N87 (= N96), A88 (≠ G97), G89 (≠ A98), I90 (= I99), T137 (≠ I146), S139 (= S148), Y152 (= Y161), K156 (= K165), P182 (≠ I191), F184 (≠ L193), T185 (≠ V194), T187 (= T196), M189 (= M198)
3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
37% identity, 96% coverage: 11:254/255 of query aligns to 2:246/246 of 3osuA
7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
38% identity, 95% coverage: 14:254/255 of query aligns to 5:242/243 of 7emgB
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)
37% identity, 95% coverage: 14:254/255 of query aligns to 6:243/244 of P0A2C9
- M125 (= M135) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
- A223 (= A234) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
- S224 (= S235) 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.
7krmC Putative fabg bound to nadh from acinetobacter baumannii
38% identity, 95% coverage: 14:254/255 of query aligns to 6:243/244 of 7krmC
- active site: G18 (= G24), S140 (= S148), Y155 (= Y161)
- binding nicotinamide-adenine-dinucleotide: G12 (= G20), S15 (vs. gap), G18 (= G24), I19 (= I25), D38 (≠ Y44), L39 (= L45), A60 (≠ L67), N61 (≠ D68), V62 (≠ Q69), N88 (= N96), V111 (≠ T119), S140 (= S148), Y155 (= Y161), K159 (= K165), I188 (≠ V194), T190 (= T196)
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)
37% identity, 95% coverage: 14:254/255 of query aligns to 6:243/244 of P0AEK2
- GASR 12:15 (≠ GGSR 20:23) binding
- T37 (≠ N46) binding
- NV 59:60 (≠ DQ 68:69) binding
- N86 (= N96) binding
- Y151 (= Y161) mutation to F: Defect in the affinity for NADPH.
- YAAAK 151:155 (= YAAAK 161:165) binding
- A154 (= A164) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
- K155 (= K165) mutation to A: Defect in the affinity for NADPH.
- I184 (≠ V194) binding
- E233 (≠ Q244) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.
1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
37% identity, 95% coverage: 14:254/255 of query aligns to 5:242/243 of 1q7bA
- active site: G15 (= G24), E101 (≠ D112), S137 (= S148), Q147 (= Q158), Y150 (= Y161), K154 (= K165)
- binding calcium ion: E232 (≠ Q244), T233 (= T245)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G20), S13 (= S22), R14 (= R23), T36 (≠ N46), N58 (≠ D68), V59 (≠ Q69), N85 (= N96), A86 (≠ G97), G87 (≠ A98), I88 (= I99), S137 (= S148), Y150 (= Y161), K154 (= K165), P180 (≠ I191), G181 (= G192), I183 (≠ V194)
1q7cA The structure of betaketoacyl-[acp] reductase y151f mutant in complex with NADPH fragment (see paper)
36% identity, 95% coverage: 14:254/255 of query aligns to 5:242/243 of 1q7cA
- active site: G15 (= G24), S137 (= S148), Q147 (= Q158), F150 (≠ Y161), K154 (= K165)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G20), S13 (= S22), R14 (= R23), A35 (≠ L45), T36 (≠ N46), L57 (= L67), N58 (≠ D68), V59 (≠ Q69), G87 (≠ A98), I88 (= I99)
3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
37% identity, 95% coverage: 13:254/255 of query aligns to 1:239/239 of 3sj7A
- active site: G12 (= G24), S138 (= S148), Q148 (= Q158), Y151 (= Y161), K155 (= K165)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G20), S10 (= S22), R11 (= R23), I13 (= I25), N31 (≠ T43), Y32 (= Y44), A33 (≠ L45), G34 (≠ N46), S35 (≠ H47), A58 (vs. gap), N59 (≠ D68), V60 (≠ Q69), N86 (= N96), A87 (≠ G97), T109 (= T119), S138 (= S148), Y151 (= Y161), K155 (= K165), P181 (≠ I191), G182 (= G192)
5ovkA Crystal structure maba bound to NADPH from m. Smegmatis (see paper)
37% identity, 96% coverage: 12:255/255 of query aligns to 9:241/242 of 5ovkA
5ovlA Crystal structure of maba bound to NADP+ from m. Smegmatis (see paper)
37% identity, 96% coverage: 12:255/255 of query aligns to 8:240/241 of 5ovlA
- active site: G20 (= G24), S134 (= S148), Y147 (= Y161), L154 (= L168)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G20), N18 (≠ S22), R19 (= R23), G20 (= G24), I21 (= I25), R41 (≠ Q48), D55 (= D68), V56 (≠ Q69), N82 (= N96), A83 (≠ G97), I85 (= I99), T105 (= T119), I132 (= I146), S134 (= S148), Y147 (= Y161), K151 (= K165), P177 (≠ I191), G178 (= G192), I180 (≠ V194)
P71534 3-oxoacyl-[acyl-carrier-protein] reductase MabA; 3-ketoacyl-acyl carrier protein reductase; Acetoacetyl-CoA reductase; Beta-ketoacyl-ACP reductase; Beta-ketoacyl-acyl carrier protein reductase; EC 1.1.1.100; EC 1.1.1.36 from Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155) (Mycobacterium smegmatis) (see paper)
37% identity, 96% coverage: 12:255/255 of query aligns to 22:254/255 of P71534
6t62A Crystal structure of acinetobacter baumannii fabg in complex with NADPH at 1.8 a resolution (see paper)
35% identity, 96% coverage: 11:254/255 of query aligns to 3:243/244 of 6t62A
- active site: G16 (= G24), S138 (= S148), Y151 (= Y161)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G20), S14 (= S22), R15 (= R23), A36 (≠ Y44), T37 (≠ L45), L58 (= L67), D59 (= D68), V60 (≠ Q69), N86 (= N96), A87 (≠ G97), G88 (≠ A98), I89 (= I99), I136 (= I146), S137 (≠ G147), S138 (= S148), Y151 (= Y161), K155 (= K165), P181 (≠ I191), G182 (= G192), I184 (≠ V194), M188 (= M198)
6wprA Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(h) from acinetobacter baumannii (see paper)
35% identity, 96% coverage: 11:254/255 of query aligns to 3:243/244 of 6wprA
- active site: G16 (= G24), S138 (= S148), Y151 (= Y161)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G20), S14 (= S22), R15 (= R23), T37 (≠ L45), L58 (= L67), D59 (= D68), V60 (≠ Q69), N86 (= N96), A87 (≠ G97), G88 (≠ A98), I89 (= I99), I136 (= I146), Y151 (= Y161), K155 (= K165), P181 (≠ I191)
5vt6A Crystal structure of acetoacetyl-coa reductase from burkholderia pseudomallei 1710b complexed with NADP
33% identity, 95% coverage: 14:254/255 of query aligns to 2:244/245 of 5vt6A
- active site: G12 (= G24), D102 (= D112), S138 (= S148), Y151 (= Y161), K155 (= K165)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G20), G11 (≠ R23), G12 (= G24), L13 (≠ I25), H32 (≠ Y44), S33 (≠ L45), N36 (≠ Q48), V58 (≠ L67), D59 (= D68), V60 (≠ Q69), N86 (= N96), A87 (≠ G97), G88 (≠ A98), I89 (= I99), I136 (= I146), Y151 (= Y161), K155 (= K165), P181 (≠ I191), Y183 (≠ L193), L184 (≠ V194), T186 (= T196)
4cqlI Crystal structure of heterotetrameric human ketoacyl reductase complexed with NAD (see paper)
35% identity, 95% coverage: 13:254/255 of query aligns to 8:251/251 of 4cqlI
- active site: G19 (= G24), S146 (= S148), Y159 (= Y161), K163 (= K165)
- binding nicotinamide-adenine-dinucleotide: S18 (≠ R23), G19 (= G24), I20 (= I25), D39 (≠ Y44), L40 (= L45), A64 (≠ L67), D65 (= D68), V66 (≠ Q69), C93 (≠ N96), A94 (≠ G97), G95 (≠ A98), I96 (= I99), V116 (≠ T119), I144 (= I146), S146 (= S148), Y159 (= Y161), K163 (= K165), P189 (≠ I191), G190 (= G192), I192 (≠ V194), T194 (= T196), M196 (= M198)
P9WGT3 3-oxoacyl-[acyl-carrier-protein] reductase MabA; 3-ketoacyl reductase; 3-ketoacyl-acyl carrier protein reductase; Acetoacetyl-CoA reductase; Beta-ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; Mycolic acid biosynthesis A; EC 1.1.1.100; EC 1.1.1.36 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 7 papers)
34% identity, 100% coverage: 1:255/255 of query aligns to 1:246/247 of P9WGT3
- M1 (= M1) modified: Initiator methionine, Removed
- T21 (= T19) modified: Phosphothreonine; mutation to A: Slight decrease in phosphorylation by PknB. Lack of phosphorylation by PknB; when associated with A-114 and A-191.
- RGI 25:27 (= RGI 23:25) binding
- R47 (≠ L45) binding
- C60 (vs. gap) mutation to V: Displays a lower activity than the wild-type and a slightly decreased affinity for the cofactor. Retains 84% of activity; when associated with L-144. Totally inactive; when associated with A-139 and L-144.
- DV 61:62 (≠ DQ 68:69) binding
- G90 (≠ A98) binding
- T114 (≠ R122) modified: Phosphothreonine; mutation to A: Slight decrease in phosphorylation by PknB. Lack of phosphorylation by PknB; when associated with A-21 and A-191.
- G139 (= G147) mutation to A: Complete protein inactivation and freezes the catalytic site into its closed form. Totally inactive; when associated with V-60 and L-144.
- S140 (= S148) mutation to A: Loss of activity. Can still bind NADPH.; mutation to T: Loss of activity. Impaired NADPH binding.
- S144 (≠ Q152) mutation to L: Stabilizes the catalytic loop in its open active form. Retains 84% of activity; when associated with V-60. Totally inactive; when associated with V-60 and A-139.
- Y185 (≠ L193) mutation to L: 70% decrease in activity with acetoacetyl-CoA as substrate. Does not affect NADP binding.
- T191 (= T199) modified: Phosphothreonine; mutation to A: Retains 22% of wild-type reductase activity. Strong decrease in phosphorylation by PknB. Lack of phosphorylation by PknB; when associated with A-21 and A-114.; mutation to D: Phosphomimetic mutant that retains less than 10% of wild-type reductase activity. Impaired NADPH binding. Overproduction of the mutant leads to a significant inhibition of de novo biosynthesis of mycolic acids.
Query Sequence
>202371 SO3263 3-oxoacyl-(acyl-carrier-protein) reductase, putative (NCBI ptt file)
MTCKVIQGIHQMSKLVLITGGSRGIGAGIAKAFAEAGYWVAITYLNHQDKAVSLANILGD
KVAAFALDQSKPESIKQCITEVEKYFNRSIDVLINNGAIAQEKPFSDITADDFTTMLNTN
LRGPFLLAQACIPAMQQHGFGRIINIGSIGGQWGGYNQVHYAAAKAGLINLSQSIAKIYS
RDGIRTNTIAIGLVATEMTEHELTTEAGKQKAAAIPVGRLGKVEDIASIALFLASQDSDY
LSGQTLNANGGMYFG
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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