SitesBLAST

Comparing WP_067477954.1 NCBI__GCF_001659785.1:WP_067477954.1 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)
78% identity, 99% coverage: 3:401/405 of query aligns to 2:400/402 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)

1t09A Crystal structure of human cytosolic NADP(+)-dependent isocitrate dehydrogenase in complex NADP (see paper)
67% identity, 99% coverage: 1:401/405 of query aligns to 1:406/414 of 1t09A

• binding nadp nicotinamide-adenine-dinucleotide phosphate: A74 (= A74), T75 (= T75), I76 (= I76), T77 (= T77), R82 (= R82), N96 (= N96), D279 (= D279), S280 (≠ I280), 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)
67% identity, 99% coverage: 1:401/405 of query aligns to 1:406/414 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(+)

6bkzA Novel modes of inhibition of wild-type idh1: non-equivalent allosteric inhibition with cmpd3 (see paper)
67% identity, 97% coverage: 8:401/405 of query aligns to 6:404/412 of 6bkzA

• binding (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide: A109 (≠ P111), I111 (= I113), L118 (= L120), L118 (= L120), W122 (= W124), I126 (= I128), M257 (≠ L259), M257 (≠ L259), W265 (= W267), V274 (= V276), V279 (= V281), A280 (= A282), G282 (= G284), Y283 (≠ F285)
• binding nadp nicotinamide-adenine-dinucleotide phosphate: T73 (= T75), I74 (= I76), T75 (= T77), N94 (= N96), S285 (= S287), H307 (= H309), G308 (= G310), T309 (= T311), V310 (= V312), R312 (= R314), H313 (= H315), T325 (= T327), N326 (= N328), D373 (= D375)

O88844 Isocitrate dehydrogenase [NADP] cytoplasmic; IDH; IDH1; Cytosolic NADP-isocitrate dehydrogenase; IDPc; NADP(+)-specific ICDH; Oxalosuccinate decarboxylase; EC 1.1.1.42 from Mus musculus (Mouse) (see paper)
66% identity, 100% coverage: 1:404/405 of query aligns to 1:409/414 of O88844

• 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
• K212 (= K212) binding substrate
• C245 (≠ T245) mutation to S: No effect on inhibition by cadmium ions.
• K260 (= K260) binding NADP(+)
• GTVTRH 310:315 (= GTVTRH 310:315) binding NADP(+)
• N328 (= N328) binding NADP(+)
• C379 (≠ L379) mutation to S: Decreased inhibition by cadmium ions.

8vheB Isocitrate dehydrogenase [NADP] cytoplasmic (see paper)
66% identity, 99% coverage: 1:401/405 of query aligns to 10:415/421 of 8vheB

• binding 3,3',3''-({(4R)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1,4-dihydropyridin-4-yl}-lambda~5~-phosphanetriyl)tripropanoic acid: T84 (= T75), I85 (= I76), T86 (= T77), S103 (= S94), N105 (= N96), R109 (= R100), R118 (= R109), D288 (= D279), A317 (= A308), H318 (= H309), G319 (= G310), T320 (= T311), V321 (= V312), T322 (= T313), R323 (= R314), H324 (= H315), T336 (= T327), N337 (= N328)
• binding calcium ion: D284 (= D275), D288 (= D279)

8vhaA Crystal structure of human idh1 r132q in complex with NADPH and alpha- ketoglutarate (see paper)
66% identity, 99% coverage: 1:401/405 of query aligns to 2:407/414 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, 97% coverage: 8:401/405 of query aligns to 6:404/414 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, 97% coverage: 8:401/405 of query aligns to 6:404/416 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 (≠ L378), L381 (vs. gap)

6bl1A Novel modes of inhibition of wild-type idh1: direct covalent modification of his315 with cmpd13 (see paper)
67% identity, 97% coverage: 8:401/405 of query aligns to 6:404/416 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, 97% coverage: 8:401/405 of query aligns to 6:404/416 of 6bl0A