SitesBLAST

Comparing WP_003940772.1 NCBI__GCF_002893965.1:WP_003940772.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Found 20 (the maximum) hits to proteins with known functional sites

4hcxA Structure of icdh-1 from m.Tuberculosis complexed with NADPH & mn2+ (see paper)
80% identity, 98% coverage: 3:402/407 of query aligns to 2:401/402 of 4hcxA

• binding manganese (ii) ion: D274 (= D275), D278 (= D279)
• binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A73 (= A74), T74 (= T75), T76 (= T77), E305 (= E306), H308 (= H309), G309 (= G310), T310 (= T311), V311 (= V312), R313 (= R314), H314 (= H315), N327 (= N328)

6ajcA Crystal structure of trypanosoma cruzi cytosolic isocitrate dehydrogenase in complex with NADP+, isocitrate and ca2+
66% identity, 99% coverage: 3:403/407 of query aligns to 3:407/413 of 6ajcA

• binding calcium ion: D274 (= D275), D278 (= D279)
• binding nadp nicotinamide-adenine-dinucleotide phosphate: T75 (= T75), I76 (= I76), T77 (= T77), N96 (= N96), D252 (= D253), K259 (= K260), L287 (= L288), A307 (= A308), H308 (= H309), G309 (= G310), T310 (= T311), V311 (= V312), R313 (= R314), H314 (= H315), N327 (= N328)

1t09A Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex NADP (see paper)
66% identity, 100% coverage: 1:405/407 of query aligns to 1:410/414 of 1t09A

• binding nadp nicotinamide-adenine-dinucleotide phosphate: A74 (= A74), T75 (= T75), I76 (= I76), T77 (= T77), R82 (= R82), N96 (= N96), D279 (= D279), S280 (≠ T280), H309 (= H309), G310 (= G310), V312 (= V312), R314 (= R314), T327 (= T327), N328 (= N328)

O75874 Isocitrate dehydrogenase [NADP] cytoplasmic; IDH; IDH1; Cytosolic NADP-isocitrate dehydrogenase; IDPc; NADP(+)-specific ICDH; Oxalosuccinate decarboxylase; EC 1.1.1.42 from Homo sapiens (Human) (see 6 papers)
66% identity, 100% coverage: 1:405/407 of query aligns to 1:410/414 of O75874

• TIT 75:77 (= TIT 75:77) binding NADP(+)
• T77 (= T77) binding in other chain
• R82 (= R82) binding NADP(+)
• 94:100 (vs. 94:100, 100% identical) binding in other chain
• R109 (= R109) binding in other chain
• R132 (= R132) binding in other chain; to C: in colorectal cancer and glioma samples; glioblastoma multiforme; somatic mutation; found in patients with cartilaginous tumors; abolishes magnesium binding and alters enzyme activity so that isocitrate is no longer converted to alpha-ketoglutarate but instead alpha-ketoglutarate is converted to R(-)-2-hydroxyglutarate; induces histone methylation; enhances expression of chondrocyte-related genes; disturbs the formation of cartilaginous matrix; inhibits osteogenic differentiation; dbSNP:rs121913499; to G: in a glioma sample; glioblastoma multiforme; somatic mutation; found in patients with cartilaginous tumors; dbSNP:rs121913499; to H: in a glioma sample; glioblastoma multiforme; somatic mutation; found in patients with cartilaginous tumors; abolishes magnesium binding and alters enzyme activity so that isocitrate is no longer converted to alpha-ketoglutarate but instead alpha-ketoglutarate is converted to R(-)-2-hydroxyglutarate; dbSNP:rs121913500; to L: in a glioma sample; glioblastoma multiforme; somatic mutation; abolishes magnesium binding and alters enzyme activity so that isocitrate is no longer converted to alpha-ketoglutarate but instead alpha-ketoglutarate is converted to R(-)-2-hydroxyglutarate; dbSNP:rs121913500; to S: in a glioma sample; glioblastoma multiforme; somatic mutation; abolishes magnesium binding and alters enzyme activity so that isocitrate is no longer converted to alpha-ketoglutarate but instead alpha-ketoglutarate is converted to R(-)-2-hydroxyglutarate; dbSNP:rs121913499
• K212 (= K212) binding substrate
• K260 (= K260) binding NADP(+)
• GTVTRH 310:315 (= GTVTRH 310:315) binding NADP(+)
• N328 (= N328) binding NADP(+)

P33198 Isocitrate dehydrogenase [NADP], mitochondrial; IDH; ICD-M; IDP; NADP(+)-specific ICDH; Oxalosuccinate decarboxylase; EC 1.1.1.42 from Sus scrofa (Pig) (see 2 papers)
66% identity, 99% coverage: 3:404/407 of query aligns to 12:418/421 of P33198

• T86 (= T77) binding D-threo-isocitrate
• 103:109 (vs. 94:100, 100% identical) binding D-threo-isocitrate
• R118 (= R109) binding D-threo-isocitrate
• R141 (= R132) binding D-threo-isocitrate
• Y148 (= Y139) Critical for catalysis; mutation to F: Large decrease in Vmax and insignificant change in KM for isocitrate and NADP.
• K220 (= K212) Critical for catalysis; mutation K->Q,Y: Large decrease in Vmax and insignificant change in KM for isocitrate and NADP.
• D260 (= D252) binding Mn(2+)
• D283 (= D275) binding Mn(2+)

5h3eB Crystal structure of mouse isocitrate dehydrogenases 2 k256q mutant complexed with isocitrate (see paper)
66% identity, 99% coverage: 3:404/407 of query aligns to 2:408/410 of 5h3eB

• binding magnesium ion: D273 (= D275), D277 (= D279)

8vhaA Crystal structure of human idh1 r132q in complex with NADPH and alpha- ketoglutarate (see paper)
66% identity, 100% coverage: 1:405/407 of query aligns to 2:411/414 of 8vhaA

• binding calcium ion: D276 (= D275), D280 (= D279)
• binding (3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid: A75 (= A74), T76 (= T75), T78 (= T77), S95 (= S94), N97 (= N96), H310 (= H309), G311 (= G310), T312 (= T311), V313 (= V312), R315 (= R314), H316 (= H315), N329 (= N328)

6bkxA Novel modes of inhibition of wild-type idh1: direct covalent modification of his315 with cmpd1 (see paper)
67% identity, 98% coverage: 8:405/407 of query aligns to 6:408/414 of 6bkxA

• binding calcium ion: D273 (= D275), D277 (= D279)
• binding (6aS,7S,9R,10aS)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile: H307 (= H309), V310 (= V312), R312 (= R314), H313 (= H315), S324 (= S326), K372 (= K374), D373 (= D375)

6bl2A Novel modes of inhibition of wild-type idh1: direct covalent modification of his315 with cmpd15 (see paper)
67% identity, 98% coverage: 8:405/407 of query aligns to 6:408/416 of 6bl2A

• binding 3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid: H307 (= H309), V310 (= V312), R312 (= R314), H313 (= H315), T323 (= T325), K372 (= K374), D373 (= D375), A376 (≠ M378), L381 (vs. gap)

6bl1A Novel modes of inhibition of wild-type idh1: direct covalent modification of his315 with cmpd13 (see paper)
67% identity, 98% coverage: 8:405/407 of query aligns to 6:408/416 of 6bl1A

• binding calcium ion: D273 (= D275), D277 (= D279)
• binding (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile: H307 (= H309), V310 (= V312), R312 (= R314), H313 (= H315), M316 (≠ Q318), K372 (= K374), L381 (vs. gap)

6bl0A Novel modes of inhibition of wild-type idh1:direct covalent modification of his315 with cmpd11 (see paper)
67% identity, 98% coverage: 8:405/407 of query aligns to 6:408/416 of 6bl0A

• binding (5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile: H307 (= H309), V310 (= V312), R312 (= R314), H313 (= H315), N326 (= N328), K372 (= K374), L381 (vs. gap)

6bkyA Novel binding modes of inhibition of wild-type idh1: allosteric inhibition with cmpd2 (see paper)
67% identity, 98% coverage: 8:405/407 of query aligns to 6:408/416 of 6bkyA