SitesBLAST
Comparing WP_003941477.1 NCBI__GCF_002893965.1:WP_003941477.1 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)
7kmyA Structure of mtb lpd bound to 010705 (see paper)
78% identity, 100% coverage: 3:467/467 of query aligns to 3:465/465 of 7kmyA
- active site: W38 (= W38), C42 (= C42), C47 (= C47), S50 (= S50), A182 (= A182), E186 (= E186), H442 (= H444), H444 (= H446), E449 (= E451)
- binding flavin-adenine dinucleotide: L10 (= L10), G11 (= G11), G13 (= G13), P14 (= P14), V33 (≠ I33), E34 (= E34), P35 (≠ Q35), Y37 (= Y37), G40 (= G40), V41 (= V41), C42 (= C42), G46 (= G46), C47 (= C47), K51 (= K51), Y113 (≠ K113), G114 (= G114), A142 (= A142), T143 (= T143), G144 (= G144), Y162 (= Y162), I183 (= I183), Y277 (≠ F279), G309 (= G311), D310 (= D312), Q316 (= Q318), L317 (= L319), A318 (= A320)
- 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 (= Y17), R94 (= R94), G97 (= G97), F100 (= F100), E322 (= E324), A382 (= A384), H444 (= H446), E449 (= E451), N464 (= N466)
4m52A Structure of mtb lpd bound to sl827 (see paper)
78% identity, 100% coverage: 3:467/467 of query aligns to 3:465/465 of 4m52A
- active site: W38 (= W38), C42 (= C42), C47 (= C47), S50 (= S50), A182 (= A182), E186 (= E186), H442 (= H444), H444 (= H446), E449 (= E451)
- binding flavin-adenine dinucleotide: L10 (= L10), G11 (= G11), G13 (= G13), P14 (= P14), V33 (≠ I33), E34 (= E34), P35 (≠ Q35), Y37 (= Y37), V41 (= V41), C42 (= C42), G46 (= G46), C47 (= C47), K51 (= K51), Y113 (≠ K113), G114 (= G114), A142 (= A142), T143 (= T143), Y162 (= Y162), I183 (= I183), F270 (= F272), Y277 (≠ F279), G309 (= G311), D310 (= D312), Q316 (= Q318), L317 (= L319), A318 (= A320)
- binding N~2~-[(2-amino-5-bromopyridin-3-yl)sulfonyl]-N-(4-methoxyphenyl)-N~2~-methylglycinamide: P14 (= P14), Y17 (= Y17), R94 (= R94), F100 (= F100), E322 (= E324), A382 (= A384), H444 (= H446), N464 (= N466)
8u0qA Co-crystal structure of optimized analog tdi-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series (see paper)
78% identity, 100% coverage: 3:467/467 of query aligns to 2:464/464 of 8u0qA
- binding flavin-adenine dinucleotide: L9 (= L10), G10 (= G11), G12 (= G13), P13 (= P14), G14 (= G15), V32 (≠ I33), E33 (= E34), P34 (≠ Q35), Y36 (= Y37), G39 (= G40), V40 (= V41), C41 (= C42), G45 (= G46), C46 (= C47), K50 (= K51), Y112 (≠ K113), G113 (= G114), A141 (= A142), T142 (= T143), G143 (= G144), Y161 (= Y162), I182 (= I183), Y276 (≠ F279), G308 (= G311), D309 (= D312), Q315 (= Q318), L316 (= L319), A317 (= A320), H318 (= H321)
- binding N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide: Y16 (= Y17), R93 (= R94), G96 (= G97), F99 (= F100), E321 (= E324), A381 (= A384), A383 (≠ G386), H443 (= H446), E448 (= E451), N463 (= N466), F464 (= F467)
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
78% identity, 100% coverage: 3:467/467 of query aligns to 2:464/464 of 8ct4A
- binding flavin-adenine dinucleotide: L9 (= L10), G10 (= G11), G12 (= G13), P13 (= P14), E33 (= E34), P34 (≠ Q35), Y36 (= Y37), G39 (= G40), V40 (= V41), C41 (= C42), G45 (= G46), C46 (= C47), K50 (= K51), Y112 (≠ K113), G113 (= G114), T142 (= T143), G143 (= G144), Y161 (= Y162), I182 (= I183), Y276 (≠ F279), D309 (= D312), Q315 (= Q318), L316 (= L319), A317 (= A320)
- 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 (= Y17), R93 (= R94), F99 (= F100), E321 (= E324), F377 (= F380), A381 (= A384), A383 (≠ G386), H443 (= H446), E448 (= E451), A449 (= A452), E452 (= E455), N463 (= N466)
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)
78% identity, 100% coverage: 3:467/467 of query aligns to 2:464/464 of P9WHH9
- D5 (= D6) mutation to A: Reduces lipoamide dehydrogenase activity by 95%.
- 33:41 (vs. 34:42, 89% identical) binding FAD
- C41 (= C42) modified: Disulfide link with 46, Redox-active
- N43 (= N44) mutation to A: Reduces lipoamide dehydrogenase activity by 89%.
- C46 (= C47) modified: Disulfide link with 41, Redox-active
- K50 (= K51) binding FAD
- R93 (= R94) mutation to A: Reduces lipoamide dehydrogenase activity by 94%.; mutation to E: Reduces lipoamide dehydrogenase activity by 96%.
- K103 (= K104) mutation to E: Reduces lipoamide dehydrogenase activity by 82%.
- D309 (= D312) binding FAD
- A317 (= A320) binding FAD
- H386 (= H389) mutation to K: Reduces lipoamide dehydrogenase activity by 91%.
- F464 (= F467) mutation to A: Reduces lipoamide dehydrogenase activity by 95%.
3ii4A Structure of mycobacterial lipoamide dehydrogenase bound to a triazaspirodimethoxybenzoyl inhibitor (see paper)
78% identity, 100% coverage: 3:467/467 of query aligns to 1:463/463 of 3ii4A
- active site: W36 (= W38), C40 (= C42), C45 (= C47), S48 (= S50), A180 (= A182), E184 (= E186), H440 (= H444), H442 (= H446), E447 (= E451)
- 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 (≠ K148), A180 (= A182), I181 (= I183), E184 (= E186), N208 (= N210), E209 (= E211), F268 (= F272), R287 (= R291), G311 (≠ A315), Q314 (= Q318), L315 (= L319), R346 (= R350), A347 (= A351)
- binding flavin-adenine dinucleotide: L8 (= L10), G9 (= G11), G11 (= G13), P12 (= P14), G13 (= G15), V31 (≠ I33), E32 (= E34), P33 (≠ Q35), Y35 (= Y37), G38 (= G40), V39 (= V41), C40 (= C42), G44 (= G46), C45 (= C47), K49 (= K51), Y111 (≠ K113), G112 (= G114), A140 (= A142), T141 (= T143), G142 (= G144), Y160 (= Y162), I181 (= I183), Y275 (≠ F279), G307 (= G311), D308 (= D312), Q314 (= Q318), L315 (= L319), A316 (= A320)
6uziC Crystal structure of dihydrolipoyl dehydrogenase from elizabethkingia anophelis nuhp1
42% identity, 97% coverage: 3:456/467 of query aligns to 5:458/470 of 6uziC
- active site: C45 (= C42), C50 (= C47), S53 (= S50), V187 (≠ A182), E191 (= E186), H448 (= H446), E453 (= E451)
- binding flavin-adenine dinucleotide: I12 (≠ L10), G13 (= G11), G15 (= G13), P16 (= P14), G17 (= G15), E36 (= E34), K37 (≠ Q35), G43 (= G40), T44 (≠ V41), C45 (= C42), G49 (= G46), C50 (= C47), S53 (= S50), K54 (= K51), V117 (≠ K113), G118 (= G114), T147 (= T143), G148 (= G144), I188 (= I183), R276 (≠ F272), D316 (= D312), M322 (≠ Q318), L323 (= L319), A324 (= A320)
- binding zinc ion: H448 (= H446), E453 (= E451)
P11959 Dihydrolipoyl dehydrogenase; Dihydrolipoamide dehydrogenase; E3 component of pyruvate complex; EC 1.8.1.4 from Geobacillus stearothermophilus (Bacillus stearothermophilus) (see paper)
41% identity, 97% coverage: 6:456/467 of query aligns to 11:456/470 of P11959
- 39:47 (vs. 34:42, 56% identical) binding FAD
- K56 (= K51) binding FAD
- D314 (= D312) binding FAD
- A322 (= A320) binding FAD
1ebdA Dihydrolipoamide dehydrogenase complexed with the binding domain of the dihydrolipoamide acetylase (see paper)
41% identity, 97% coverage: 6:456/467 of query aligns to 5:450/455 of 1ebdA