SitesBLAST
Comparing 3608411 FitnessBrowser__Dino:3608411 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)
P14218 Dihydrolipoyl dehydrogenase; Dihydrolipoamide dehydrogenase; E3 component of 2-oxoglutarate dehydrogenase complex; EC 1.8.1.4 from Pseudomonas fluorescens (see 2 papers)
43% identity, 99% coverage: 6:465/465 of query aligns to 5:472/478 of P14218
- 34:49 (vs. 35:43, 25% identical) binding
- C49 (= C43) modified: Disulfide link with 54, Redox-active
- C54 (= C48) modified: Disulfide link with 49, Redox-active
- K58 (= K52) binding
- G122 (≠ A115) binding
- D319 (= D310) binding
- A327 (= A318) binding
Sites not aligning to the query:
- 1 modified: Initiator methionine, Removed
5u8wA Dihydrolipoamide dehydrogenase (lpdg) from pseudomonas aeruginosa bound to nadh (see paper)
43% identity, 99% coverage: 6:465/465 of query aligns to 4:471/473 of 5u8wA
- active site: P13 (= P15), L44 (≠ M39), C48 (= C43), C53 (= C48), S56 (≠ T51), G82 (= G76), V83 (= V77), V190 (≠ A183), E194 (= E187), S330 (= S322), F448 (= F442), H450 (= H444), E455 (= E449)
- binding flavin-adenine dinucleotide: I9 (≠ V11), G12 (= G14), P13 (= P15), G14 (= G16), E33 (= E35), K34 (≠ R36), G46 (= G41), T47 (≠ I42), C48 (= C43), G52 (= G47), C53 (= C48), K57 (= K52), H120 (≠ E114), G121 (≠ A115), A149 (= A142), S150 (≠ T143), G151 (= G144), S170 (≠ Y163), G317 (= G309), D318 (= D310), M324 (≠ W316), L325 (= L317), A326 (= A318), H327 (= H319), Y357 (= Y351), H450 (= H444), P451 (= P445)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I186 (= I179), G189 (= G182), V190 (≠ A183), I191 (= I184), E194 (= E187), E210 (= E203), A211 (≠ V204), L212 (≠ M205), A275 (= A268), V276 (= V269), G277 (= G270), R278 (≠ I271), M324 (≠ W316), L325 (= L317), V355 (≠ C349), Y357 (= Y351)
Sites not aligning to the query:
5u8uD Dihydrolipoamide dehydrogenase (lpdg) from pseudomonas aeruginosa (see paper)
43% identity, 99% coverage: 6:465/465 of query aligns to 7:474/477 of 5u8uD
- active site: P16 (= P15), L47 (≠ M39), C51 (= C43), C56 (= C48), S59 (≠ T51), G85 (= G76), V86 (= V77), V193 (≠ A183), E197 (= E187), S333 (= S322), F451 (= F442), H453 (= H444), E458 (= E449)
- binding flavin-adenine dinucleotide: I12 (≠ V11), G15 (= G14), P16 (= P15), G17 (= G16), E36 (= E35), K37 (≠ R36), G49 (= G41), T50 (≠ I42), C51 (= C43), G55 (= G47), C56 (= C48), K60 (= K52), H123 (≠ E114), G124 (≠ A115), A152 (= A142), S153 (≠ T143), G154 (= G144), I194 (= I184), R281 (≠ I271), G320 (= G309), D321 (= D310), M327 (≠ W316), L328 (= L317), A329 (= A318), H330 (= H319), H453 (= H444), P454 (= P445)
Sites not aligning to the query:
5u8vA Dihydrolipoamide dehydrogenase (lpdg) from pseudomonas aeruginosa bound to NAD+ (see paper)
43% identity, 99% coverage: 6:465/465 of query aligns to 3:470/472 of 5u8vA
- active site: P12 (= P15), L43 (≠ M39), C47 (= C43), C52 (= C48), S55 (≠ T51), G81 (= G76), V82 (= V77), V189 (≠ A183), E193 (= E187), S329 (= S322), F447 (= F442), H449 (= H444), E454 (= E449)
- binding flavin-adenine dinucleotide: I8 (≠ V11), G11 (= G14), P12 (= P15), G13 (= G16), E32 (= E35), G45 (= G41), T46 (≠ I42), C47 (= C43), G51 (= G47), C52 (= C48), K56 (= K52), H119 (≠ E114), G120 (≠ A115), A148 (= A142), S149 (≠ T143), G150 (= G144), S169 (≠ Y163), I190 (= I184), R277 (≠ I271), G316 (= G309), D317 (= D310), M323 (≠ W316), L324 (= L317), A325 (= A318), H326 (= H319), H449 (= H444), P450 (= P445)
- binding nicotinamide-adenine-dinucleotide: I185 (= I179), G186 (= G180), G188 (= G182), V189 (≠ A183), I190 (= I184), L208 (≠ V202), E209 (= E203), A210 (≠ V204), V243 (= V237), V275 (= V269), G276 (= G270)
Sites not aligning to the query:
3ii4A Structure of mycobacterial lipoamide dehydrogenase bound to a triazaspirodimethoxybenzoyl inhibitor (see paper)
40% identity, 99% coverage: 4:465/465 of query aligns to 1:463/463 of 3ii4A
- active site: W36 (≠ M39), C40 (= C43), C45 (= C48), S48 (≠ T51), A180 (= A183), E184 (= E187), H440 (≠ F442), H442 (= H444), E447 (= E449)
- binding N-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide: R146 (= R148), A180 (= A183), I181 (= I184), E184 (= E187), N208 (≠ V211), E209 (= E212), F268 (≠ I271), R287 (≠ K289), G311 (= G313), Q314 (≠ W316), L315 (= L317), R346 (≠ G348), A347 (≠ C349)
- binding flavin-adenine dinucleotide: L8 (≠ V11), G9 (= G12), G11 (= G14), P12 (= P15), G13 (= G16), V31 (= V34), E32 (= E35), P33 (≠ R36), Y35 (≠ H38), G38 (= G41), V39 (≠ I42), C40 (= C43), G44 (= G47), C45 (= C48), K49 (= K52), Y111 (≠ E114), G112 (≠ A115), A140 (= A142), T141 (= T143), G142 (= G144), Y160 (= Y163), I181 (= I184), Y275 (≠ L278), G307 (= G309), D308 (= D310), Q314 (≠ W316), L315 (= L317), A316 (= A318)
8u0qA Co-crystal structure of optimized analog tdi-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series (see paper)
40% identity, 99% coverage: 4:465/465 of query aligns to 2:464/464 of 8u0qA
- binding flavin-adenine dinucleotide: L9 (≠ V11), G10 (= G12), G12 (= G14), P13 (= P15), G14 (= G16), V32 (= V34), E33 (= E35), P34 (≠ R36), Y36 (≠ H38), G39 (= G41), V40 (≠ I42), C41 (= C43), G45 (= G47), C46 (= C48), K50 (= K52), Y112 (≠ E114), G113 (≠ A115), A141 (= A142), T142 (= T143), G143 (= G144), Y161 (= Y163), I182 (= I184), Y276 (≠ L278), G308 (= G309), D309 (= D310), Q315 (≠ W316), L316 (= L317), A317 (= A318), H318 (= H319)
- binding N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide: Y16 (= Y18), R93 (≠ L95), G96 (= G98), F99 (≠ H101), E321 (≠ S322), A381 (≠ G382), A383 (≠ G384), H443 (= H444), E448 (= E449), N463 (≠ H464), F464 (= F465)
8ct4A Cryo-em structure of mtb lpd bound to inhibitor complex with 2-((2- cyano-n,5-dimethyl-1h-indole)-7-sulfonamido)-n-(4-(oxetan-3-yl)-3,4- dihydro-2h-benzo[b] [1,4]oxazin-7-yl)acetamide
40% identity, 99% coverage: 4:465/465 of query aligns to 2:464/464 of 8ct4A
- binding flavin-adenine dinucleotide: L9 (≠ V11), G10 (= G12), G12 (= G14), P13 (= P15), E33 (= E35), P34 (≠ R36), Y36 (≠ H38), G39 (= G41), V40 (≠ I42), C41 (= C43), G45 (= G47), C46 (= C48), K50 (= K52), Y112 (≠ E114), G113 (≠ A115), T142 (= T143), G143 (= G144), Y161 (= Y163), I182 (= I184), Y276 (≠ L278), D309 (= D310), Q315 (≠ W316), L316 (= L317), A317 (= A318)
- binding N~2~-(2-cyano-5-methyl-1H-indole-7-sulfonyl)-N~2~-methyl-N-[4-(oxetan-3-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]glycinamide: Y16 (= Y18), R93 (≠ L95), F99 (≠ H101), E321 (≠ S322), F377 (= F378), A381 (≠ G382), A383 (≠ G384), H443 (= H444), E448 (= E449), A449 (≠ M450), E452 (= E453), N463 (≠ H464)
P9WHH9 Dihydrolipoyl dehydrogenase; LPD; Component of peroxynitrite reductase/peroxidase complex; Component of PNR/P; Dihydrolipoamide dehydrogenase; E3 component of alpha-ketoacid dehydrogenase complexes; EC 1.8.1.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 2 papers)
40% identity, 99% coverage: 4:465/465 of query aligns to 2:464/464 of P9WHH9
- D5 (= D7) mutation to A: Reduces lipoamide dehydrogenase activity by 95%.
- 33:41 (vs. 35:43, 44% identical) binding
- C41 (= C43) modified: Disulfide link with 46, Redox-active
- N43 (= N45) mutation to A: Reduces lipoamide dehydrogenase activity by 89%.
- C46 (= C48) modified: Disulfide link with 41, Redox-active
- K50 (= K52) binding
- R93 (≠ L95) mutation to A: Reduces lipoamide dehydrogenase activity by 94%.; mutation to E: Reduces lipoamide dehydrogenase activity by 96%.
- K103 (= K105) mutation to E: Reduces lipoamide dehydrogenase activity by 82%.
- D309 (= D310) binding
- A317 (= A318) binding
- H386 (≠ I387) mutation to K: Reduces lipoamide dehydrogenase activity by 91%.
- F464 (= F465) mutation to A: Reduces lipoamide dehydrogenase activity by 95%.
7kmyA Structure of mtb lpd bound to 010705 (see paper)
40% identity, 99% coverage: 4:465/465 of query aligns to 3:465/465 of 7kmyA
- active site: W38 (≠ M39), C42 (= C43), C47 (= C48), S50 (≠ T51), A182 (= A183), E186 (= E187), H442 (≠ F442), H444 (= H444), E449 (= E449)
- binding flavin-adenine dinucleotide: L10 (≠ V11), G11 (= G12), G13 (= G14), P14 (= P15), V33 (= V34), E34 (= E35), P35 (≠ R36), Y37 (≠ H38), G40 (= G41), V41 (≠ I42), C42 (= C43), G46 (= G47), C47 (= C48), K51 (= K52), Y113 (≠ E114), G114 (≠ A115), A142 (= A142), T143 (= T143), G144 (= G144), Y162 (= Y163), I183 (= I184), Y277 (≠ L278), G309 (= G309), D310 (= D310), Q316 (≠ W316), L317 (= L317), A318 (= A318)
- binding N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide: Y17 (= Y18), R94 (≠ L95), G97 (= G98), F100 (≠ H101), E322 (≠ S322), A382 (≠ G382), H444 (= H444), E449 (= E449), N464 (≠ H464)
4m52A Structure of mtb lpd bound to sl827 (see paper)
40% identity, 99% coverage: 4:465/465 of query aligns to 3:465/465 of 4m52A
- active site: W38 (≠ M39), C42 (= C43), C47 (= C48), S50 (≠ T51), A182 (= A183), E186 (= E187), H442 (≠ F442), H444 (= H444), E449 (= E449)
- binding flavin-adenine dinucleotide: L10 (≠ V11), G11 (= G12), G13 (= G14), P14 (= P15), V33 (= V34), E34 (= E35), P35 (≠ R36), Y37 (≠ H38), V41 (≠ I42), C42 (= C43), G46 (= G47), C47 (= C48), K51 (= K52), Y113 (≠ E114), G114 (≠ A115), A142 (= A142), T143 (= T143), Y162 (= Y163), I183 (= I184), F270 (≠ I271), Y277 (≠ L278), G309 (= G309), D310 (= D310), Q316 (≠ W316), L317 (= L317), A318 (= A318)
- binding N~2~-[(2-amino-5-bromopyridin-3-yl)sulfonyl]-N-(4-methoxyphenyl)-N~2~-methylglycinamide: P14 (= P15), Y17 (= Y18), R94 (≠ L95), F100 (≠ H101), E322 (≠ S322), A382 (≠ G382), H444 (= H444), N464 (≠ H464)
6bz0A 1.83 angstrom resolution crystal structure of dihydrolipoyl dehydrogenase from acinetobacter baumannii in complex with fad.
41% identity, 99% coverage: 5:464/465 of query aligns to 1:467/469 of 6bz0A
- active site: C45 (= C43), C50 (= C48), S53 (≠ T51), V187 (≠ A183), E191 (= E187), H447 (= H444), E452 (= E449)
- binding flavin-adenine dinucleotide: I7 (≠ V11), G10 (= G14), P11 (= P15), G12 (= G16), E31 (= E35), K32 (≠ R36), R33 (≠ E37), G43 (= G41), T44 (≠ I42), C45 (= C43), G49 (= G47), C50 (= C48), K54 (= K52), T117 (≠ E114), G118 (≠ A115), S147 (≠ T143), G148 (= G144), S167 (≠ Y163), I188 (= I184), R275 (≠ I271), Y278 (≠ N274), D315 (= D310), M321 (≠ W316), L322 (= L317), A323 (= A318), A326 (= A321), Y354 (= Y351)
3ladA Refined crystal structure of lipoamide dehydrogenase from azotobacter vinelandii at 2.2 angstroms resolution. A comparison with the structure of glutathione reductase (see paper)
41% identity, 99% coverage: 6:464/465 of query aligns to 4:470/472 of 3ladA
- active site: L44 (≠ M39), C48 (= C43), C53 (= C48), S56 (≠ T51), V190 (≠ A183), E194 (= E187), F448 (= F442), H450 (= H444), E455 (= E449)
- binding flavin-adenine dinucleotide: I9 (≠ V11), G10 (= G12), G12 (= G14), P13 (= P15), E33 (= E35), K34 (≠ R36), G46 (= G41), T47 (≠ I42), C48 (= C43), G52 (= G47), C53 (= C48), H120 (≠ E114), G121 (≠ A115), A149 (= A142), S150 (≠ T143), G151 (= G144), I191 (= I184), R278 (≠ I271), D318 (= D310), L325 (= L317), A326 (= A318)
P18925 Dihydrolipoyl dehydrogenase; Dihydrolipoamide dehydrogenase; E3 component of pyruvate complex; EC 1.8.1.4 from Azotobacter vinelandii (see 2 papers)
41% identity, 99% coverage: 6:464/465 of query aligns to 5:471/477 of P18925
- 34:49 (vs. 35:43, 25% identical) binding
- C49 (= C43) modified: Disulfide link with 54, Redox-active
- C54 (= C48) modified: Disulfide link with 49, Redox-active
- K58 (= K52) binding
- D319 (= D310) binding
- A327 (= A318) binding
6uziC Crystal structure of dihydrolipoyl dehydrogenase from elizabethkingia anophelis nuhp1
40% identity, 99% coverage: 4:465/465 of query aligns to 5:470/470 of 6uziC
- active site: C45 (= C43), C50 (= C48), S53 (≠ T51), V187 (≠ A183), E191 (= E187), H448 (= H444), E453 (= E449)
- binding flavin-adenine dinucleotide: I12 (≠ V11), G13 (= G12), G15 (= G14), P16 (= P15), G17 (= G16), E36 (= E35), K37 (≠ R36), G43 (= G41), T44 (≠ I42), C45 (= C43), G49 (= G47), C50 (= C48), S53 (≠ T51), K54 (= K52), V117 (≠ E114), G118 (≠ A115), T147 (= T143), G148 (= G144), I188 (= I184), R276 (≠ I271), D316 (= D310), M322 (≠ W316), L323 (= L317), A324 (= A318)
- binding zinc ion: H448 (= H444), E453 (= E449)
6aonA 1.72 angstrom resolution crystal structure of 2-oxoglutarate dehydrogenase complex subunit dihydrolipoamide dehydrogenase from bordetella pertussis in complex with fad
39% identity, 99% coverage: 5:465/465 of query aligns to 2:473/473 of 6aonA
- active site: P43 (vs. gap), C47 (= C43), C52 (= C48), S55 (≠ T51), V191 (≠ A183), E195 (= E187), H450 (≠ F442), H452 (= H444), E457 (= E449)
- binding calcium ion: A218 (≠ P210), A220 (≠ E212), Q222 (≠ A214)
- binding flavin-adenine dinucleotide: I8 (≠ V11), G11 (= G14), P12 (= P15), G13 (= G16), D32 (≠ E35), A33 (≠ R36), W34 (≠ E37), G45 (= G41), T46 (≠ I42), C47 (= C43), G51 (= G47), C52 (= C48), K56 (= K52), K119 (≠ E114), G120 (≠ A115), T151 (= T143), G152 (= G144), N171 (≠ Y163), I192 (= I184), R280 (≠ I271), Y283 (≠ N274), G319 (= G309), D320 (= D310), M326 (≠ W316), L327 (= L317), A328 (= A318), H329 (= H319)
6awaA 1.83 angstrom resolution crystal structure of dihydrolipoyl dehydrogenase from pseudomonas putida in complex with fad and adenosine-5'-monophosphate.
41% identity, 99% coverage: 6:464/465 of query aligns to 5:471/475 of 6awaA
- active site: L45 (≠ M39), C49 (= C43), C54 (= C48), S57 (≠ T51), V191 (≠ A183), E195 (= E187), F449 (= F442), H451 (= H444), E456 (= E449)
- binding adenosine monophosphate: I187 (= I179), E211 (= E203), A212 (≠ V204), L213 (≠ M205), V245 (= V237), V277 (= V269)
- binding flavin-adenine dinucleotide: I10 (≠ V11), G13 (= G14), P14 (= P15), G15 (= G16), E34 (= E35), K35 (≠ R36), T48 (≠ I42), C49 (= C43), G53 (= G47), C54 (= C48), K58 (= K52), H121 (≠ E114), G122 (≠ A115), S151 (≠ T143), G152 (= G144), I192 (= I184), R279 (≠ I271), G318 (= G309), D319 (= D310), M325 (≠ W316), L326 (= L317), A327 (= A318), Y358 (= Y351)
Sites not aligning to the query:
P11959 Dihydrolipoyl dehydrogenase; Dihydrolipoamide dehydrogenase; E3 component of pyruvate complex; EC 1.8.1.4 from Geobacillus stearothermophilus (Bacillus stearothermophilus) (see paper)
38% identity, 99% coverage: 7:465/465 of query aligns to 11:467/470 of P11959
- 39:47 (vs. 35:43, 44% identical) binding
- K56 (= K52) binding
- D314 (= D310) binding
- A322 (= A318) binding
3urhB Crystal structure of a dihydrolipoamide dehydrogenase from sinorhizobium meliloti 1021
39% identity, 99% coverage: 6:464/465 of query aligns to 1:465/465 of 3urhB
- active site: Y35 (≠ M39), C39 (= C43), C44 (= C48), S47 (≠ T51), V183 (≠ A183), E187 (= E187), H443 (≠ F442), H445 (= H444), E450 (= E449)
- binding flavin-adenine dinucleotide: I6 (≠ V11), G7 (= G12), G9 (= G14), P10 (= P15), G11 (= G16), E30 (= E35), K31 (vs. gap), G37 (= G41), T38 (≠ I42), C39 (= C43), G43 (= G47), C44 (= C48), K48 (= K52), T111 (≠ E114), G112 (≠ A115), A140 (= A142), T141 (= T143), G142 (= G144), I184 (= I184), R273 (≠ I271), G312 (= G309), D313 (= D310), M319 (≠ W316), L320 (= L317), A321 (= A318), H322 (= H319)
2eq6A Crystal structure of lipoamide dehydrogenase from thermus thermophilus hb8
41% identity, 99% coverage: 5:465/465 of query aligns to 3:458/460 of 2eq6A
- active site: V37 (≠ M39), C41 (= C43), C46 (= C48), T49 (= T51), A176 (= A183), E180 (= E187), H435 (≠ F442), H437 (= H444), E442 (= E449)
- binding flavin-adenine dinucleotide: I9 (≠ V11), G10 (= G12), G12 (= G14), P13 (= P15), G14 (= G16), E33 (= E35), A34 (≠ R36), G39 (= G41), V40 (≠ I42), C41 (= C43), G45 (= G47), C46 (= C48), K50 (= K52), F111 (≠ E114), A112 (= A115), A135 (= A142), T136 (= T143), G137 (= G144), S155 (≠ Y163), R269 (≠ N274), D306 (= D310), L312 (≠ W316), L313 (= L317), A314 (= A318), H315 (= H319), Y344 (= Y351)
Sites not aligning to the query:
1ebdA Dihydrolipoamide dehydrogenase complexed with the binding domain of the dihydrolipoamide acetylase (see paper)
38% identity, 96% coverage: 7:454/465 of query aligns to 5:450/455 of 1ebdA
- active site: P13 (= P15), L37 (≠ M39), C41 (= C43), C46 (= C48), S49 (≠ T51), N74 (≠ G76), V75 (= V77), Y180 (≠ A183), E184 (= E187), S320 (= S322), H438 (≠ F442), H440 (= H444), E445 (= E449)
- binding flavin-adenine dinucleotide: G10 (= G12), G12 (= G14), P13 (= P15), V32 (= V34), E33 (= E35), K34 (≠ R36), G39 (= G41), V40 (≠ I42), C41 (= C43), G45 (= G47), C46 (= C48), K50 (= K52), E112 (= E114), A113 (= A115), T141 (= T143), G142 (= G144), Y180 (≠ A183), I181 (= I184), R268 (≠ I271), D308 (= D310), A314 (≠ W316), L315 (= L317), A316 (= A318)
Query Sequence
>3608411 FitnessBrowser__Dino:3608411
MAETSFDMVVVGAGPGGYVAAIRAAQLGLKVAIVEREHMGGICLNWGCIPTKAMLRSSEV
FHLMHRAKEFGLKADGVGYDLDAVVARSRAIAKQLNSGVSHLMKKNKVTVVMGEASLPAK
GTVAVKTDKGTETLRAPHVVLATGARARELPGLEADGDLVWTYKHALTPKRMPKKLLVIG
SGAIGIEFASFYNTLGTETTVVEVMDRILPVEDAEISGFAKKQFEKQGMTIREKAMVKSL
ERGKGTVTAQIEQGGKTTAETFDTVISAVGIVGNTEKLGLEALGVRVEKTHVVTDAYCRT
GVEGLYAIGDLAGAPWLAHKASHEGVMVAELIAGRNDVHPVTPDSIAGCTYCQPQIASVG
MTEAQAKEAGHKIKVGRFPFIGNGKAIALGEPEGMIKTVFDAGTGELLGAHMVGAEVTEL
IQGYVVGRQLETTEEDLMNTVFPHPTLSEMMHESVLDAYGRALHF
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