SitesBLAST
Comparing BPHYT_RS09900 FitnessBrowser__BFirm:BPHYT_RS09900 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)
5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
47% identity, 97% coverage: 14:490/492 of query aligns to 19:488/491 of 5gtlA
- active site: N165 (= N166), K188 (= K189), E263 (= E264), C297 (= C298), E394 (= E396), E471 (= E473)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I162), P163 (= P164), K188 (= K189), A190 (= A191), E191 (= E192), Q192 (≠ E193), G221 (= G222), G225 (= G226), G241 (= G242), S242 (= S243), T245 (≠ V246), L264 (= L265), C297 (= C298), E394 (= E396), F396 (= F398)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
47% identity, 97% coverage: 14:490/492 of query aligns to 19:488/491 of 5gtkA
- active site: N165 (= N166), K188 (= K189), E263 (= E264), C297 (= C298), E394 (= E396), E471 (= E473)
- binding nicotinamide-adenine-dinucleotide: I161 (= I162), I162 (≠ V163), P163 (= P164), W164 (= W165), K188 (= K189), E191 (= E192), G221 (= G222), G225 (= G226), A226 (= A227), F239 (= F240), G241 (= G242), S242 (= S243), T245 (≠ V246), Y248 (≠ I249), L264 (= L265), C297 (= C298), Q344 (≠ H345), R347 (≠ K348), E394 (= E396), F396 (= F398)
5teiA Structure of human aldh1a1 with inhibitor cm039
46% identity, 100% coverage: 1:490/492 of query aligns to 5:486/493 of 5teiA
- active site: N162 (= N166), K185 (= K189), E261 (= E264), C295 (= C298), E392 (= E396), E469 (= E473)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: S113 (≠ L111), F163 (= F167), H285 (≠ G288), G286 (≠ A289), Y289 (≠ F292), C295 (= C298), G450 (≠ N454), V452 (= V456), F458 (= F462)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I162), I159 (≠ V163), P160 (= P164), W161 (= W165), N162 (= N166), K185 (= K189), E188 (= E192), G218 (= G222), G222 (= G226), A223 (= A227), F236 (= F240), T237 (= T241), G238 (= G242), S239 (= S243), V242 (= V246), C295 (= C298), Q342 (≠ H345), K345 (= K348), E392 (= E396), F394 (= F398)
4x4lA Structure of human aldh1a1 with inhibitor cm037 (see paper)
46% identity, 100% coverage: 1:490/492 of query aligns to 5:486/493 of 4x4lA
- active site: N162 (= N166), K185 (= K189), E261 (= E264), C295 (= C298), E392 (= E396), E469 (= E473)
- binding ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate: S113 (≠ L111), M167 (= M171), W170 (= W174), Y289 (≠ F292), G450 (≠ N454), F458 (= F462)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I162), I159 (≠ V163), P160 (= P164), W161 (= W165), K185 (= K189), E188 (= E192), G218 (= G222), G222 (= G226), F236 (= F240), T237 (= T241), G238 (= G242), S239 (= S243), V242 (= V246), C295 (= C298), Q342 (≠ H345), K345 (= K348), E392 (= E396), F394 (= F398)
8t0tA Structure of compound 4 bound to human aldh1a1 (see paper)
46% identity, 100% coverage: 1:490/492 of query aligns to 6:487/494 of 8t0tA
7um9A Human aldh1a1 with bound compound cm38 (see paper)
46% identity, 100% coverage: 1:490/492 of query aligns to 6:487/494 of 7um9A
- binding nicotinamide-adenine-dinucleotide: I159 (= I162), I160 (≠ V163), P161 (= P164), W162 (= W165), N163 (= N166), K186 (= K189), E189 (= E192), G219 (= G222), G223 (= G226), F237 (= F240), T238 (= T241), G239 (= G242), S240 (= S243), V243 (= V246), E262 (= E264), G264 (= G266), Q343 (≠ H345), K346 (= K348), E393 (= E396), F395 (= F398)
- binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone: W171 (= W174), H286 (≠ G288), Y290 (≠ F292), I297 (≠ T299), G451 (≠ N454)
5l2oA Crystal structure of aldh1a1 in complex with buc22 (see paper)
46% identity, 100% coverage: 1:490/492 of query aligns to 6:487/494 of 5l2oA
5l2nA Structure of aldh1a1 in complex with buc25 (see paper)
46% identity, 100% coverage: 1:490/492 of query aligns to 6:487/494 of 5l2nA
- active site: N163 (= N166), K186 (= K189), E262 (= E264), C296 (= C298), E393 (= E396), E470 (= E473)
- binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate: F164 (= F167), M168 (= M171), W171 (= W174), H286 (≠ G288), G287 (≠ A289), Y290 (≠ F292), C295 (≠ V297), C296 (= C298), I297 (≠ T299), Y450 (≠ H453), G451 (≠ N454), V453 (= V456), F459 (= F462)
5l2mA Structure of aldh1a1 in complex with buc11 (see paper)
46% identity, 100% coverage: 1:490/492 of query aligns to 6:487/494 of 5l2mA
- active site: N163 (= N166), K186 (= K189), E262 (= E264), C296 (= C298), E393 (= E396), E470 (= E473)
- binding 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F167), F283 (≠ G285), H286 (≠ G288), Y290 (≠ F292)
4wpnA Structure of human aldh1a1 with inhibitor cm053 (see paper)
46% identity, 100% coverage: 1:490/492 of query aligns to 6:487/494 of 4wpnA
- active site: N163 (= N166), K186 (= K189), E262 (= E264), C296 (= C298), E393 (= E396), E470 (= E473)
- binding 1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide: F164 (= F167), H286 (≠ G288), G287 (≠ A289), Y290 (≠ F292), C295 (≠ V297), I297 (≠ T299), G451 (≠ N454), V453 (= V456)
8t0nA Structure of compound 4 bound to human aldh1a1 (see paper)
46% identity, 100% coverage: 1:490/492 of query aligns to 6:487/494 of 8t0nA
- binding nicotinamide-adenine-dinucleotide: I159 (= I162), I160 (≠ V163), P161 (= P164), W162 (= W165), N163 (= N166), K186 (= K189), E189 (= E192), G219 (= G222), G223 (= G226), A224 (= A227), F237 (= F240), T238 (= T241), G239 (= G242), S240 (= S243), V243 (= V246), E262 (= E264), G264 (= G266), C296 (= C298), Q343 (≠ H345), K346 (= K348), E393 (= E396), F395 (= F398)
- binding 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol: S114 (≠ L111), G118 (= G115), T122 (≠ W119), V167 (≠ L170), W171 (= W174), V453 (= V456), S454 (≠ D457), A455 (≠ P458)
7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
46% identity, 100% coverage: 1:490/492 of query aligns to 6:487/494 of 7jwwA
- active site: N163 (= N166), K186 (= K189), E262 (= E264), C296 (= C298), E393 (= E396), E470 (= E473)
- binding 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G115), T122 (≠ W119), F164 (= F167), M168 (= M171), Y290 (≠ F292), C295 (≠ V297), C296 (= C298), I297 (≠ T299), V453 (= V456), F459 (= F462)
7jwvA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
46% identity, 100% coverage: 1:490/492 of query aligns to 6:487/494 of 7jwvA
- active site: N163 (= N166), K186 (= K189), E262 (= E264), C296 (= C298), E393 (= E396), E470 (= E473)
- binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G115), T122 (≠ W119), F164 (= F167), M168 (= M171), Y290 (≠ F292), C295 (≠ V297), I297 (≠ T299), V453 (= V456), F459 (= F462)
7jwuA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
46% identity, 100% coverage: 1:490/492 of query aligns to 6:487/494 of 7jwuA
- active site: N163 (= N166), K186 (= K189), E262 (= E264), C296 (= C298), E393 (= E396), E470 (= E473)
- binding nicotinamide-adenine-dinucleotide: I159 (= I162), I160 (≠ V163), P161 (= P164), W162 (= W165), N163 (= N166), K186 (= K189), E189 (= E192), G219 (= G222), G223 (= G226), A224 (= A227), F237 (= F240), T238 (= T241), G239 (= G242), S240 (= S243), V243 (= V246), L263 (= L265), C296 (= C298), Q343 (≠ H345), K346 (= K348), E393 (= E396), F395 (= F398)
- binding 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: T122 (≠ W119), F164 (= F167), W171 (= W174), Y290 (≠ F292), C295 (≠ V297), I297 (≠ T299), V453 (= V456), F459 (= F462)
7jwtA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
46% identity, 100% coverage: 1:490/492 of query aligns to 6:487/494 of 7jwtA
- active site: N163 (= N166), K186 (= K189), E262 (= E264), C296 (= C298), E393 (= E396), E470 (= E473)
- binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G115), T122 (≠ W119), F164 (= F167), M168 (= M171), W171 (= W174), Y290 (≠ F292), C295 (≠ V297), V453 (= V456), F459 (= F462)
7jwsA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
46% identity, 100% coverage: 1:490/492 of query aligns to 6:487/494 of 7jwsA
- active site: N163 (= N166), K186 (= K189), E262 (= E264), C296 (= C298), E393 (= E396), E470 (= E473)
- binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G115), T122 (≠ W119), F164 (= F167), M168 (= M171), W171 (= W174), Y290 (≠ F292), C295 (≠ V297), I297 (≠ T299), V453 (= V456), F459 (= F462)
6dumA Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) (see paper)
46% identity, 100% coverage: 1:490/492 of query aligns to 6:487/494 of 6dumA
- active site: N163 (= N166), K186 (= K189), E262 (= E264), C296 (= C298), E393 (= E396), E470 (= E473)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G115), T122 (≠ W119), F164 (= F167), M168 (= M171), W171 (= W174), H286 (≠ G288), Y290 (≠ F292), C295 (≠ V297), C296 (= C298), I297 (≠ T299), G451 (≠ N454), V453 (= V456), F459 (= F462)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I159 (= I162), I160 (≠ V163), P161 (= P164), W162 (= W165), N163 (= N166), K186 (= K189), E189 (= E192), G219 (= G222), P220 (≠ E223), G223 (= G226), A224 (= A227), F237 (= F240), T238 (= T241), G239 (= G242), S240 (= S243), V243 (= V246), L263 (= L265), C296 (= C298), Q343 (≠ H345), K346 (= K348), E393 (= E396), F395 (= F398)
4wp7A Structure of human aldh1a1 with inhibitor cm026 (see paper)
46% identity, 100% coverage: 1:490/492 of query aligns to 6:487/494 of 4wp7A
- active site: N163 (= N166), K186 (= K189), E262 (= E264), C296 (= C298), E393 (= E396), E470 (= E473)
- binding 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione: G118 (= G115), T122 (≠ W119), F164 (= F167), G287 (≠ A289), Y290 (≠ F292), C295 (≠ V297), I297 (≠ T299), G451 (≠ N454), V453 (= V456), A455 (≠ P458)
P00352 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Homo sapiens (Human) (see 7 papers)
46% identity, 100% coverage: 1:490/492 of query aligns to 13:494/501 of P00352
- N121 (≠ L111) to S: in dbSNP:rs1049981
- IPWN 167:170 (≠ VPWN 163:166) binding NAD(+)
- I177 (≠ V173) to F: in dbSNP:rs8187929
- KPAE 193:196 (= KPAE 189:192) binding NAD(+)
- GP 226:227 (≠ GE 222:223) binding NAD(+)
- GS 246:247 (= GS 242:243) binding NAD(+)
- E269 (= E264) active site, Proton acceptor
- ELG 269:271 (= ELG 264:266) binding NAD(+)
- C302 (≠ V297) mutation C->A,S: Does not prevent inhibition by duocarmycin analogs.
- C303 (= C298) active site, Nucleophile
- EQYDK 349:353 (≠ RHRDK 344:348) binding NAD(+)
- EIF 400:402 (≠ EVF 396:398) binding NAD(+)
- G458 (≠ N454) mutation to N: No significant effect on aldehyde dehydrogenase activity. Prevents the inhibition by ALDH1A1-specific inhibitors.
Sites not aligning to the query:
- 1 modified: Initiator methionine, Removed
- 2 modified: N-acetylserine
- 336:501 Mediates interaction with PRMT3
4wb9A Human aldh1a1 complexed with nadh (see paper)
46% identity, 100% coverage: 1:490/492 of query aligns to 5:486/493 of 4wb9A
- active site: N162 (= N166), K185 (= K189), E261 (= E264), C295 (= C298), E392 (= E396), E469 (= E473)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I162), I159 (≠ V163), P160 (= P164), W161 (= W165), N162 (= N166), K185 (= K189), E188 (= E192), G218 (= G222), G222 (= G226), F236 (= F240), T237 (= T241), G238 (= G242), S239 (= S243), V242 (= V246), G263 (= G266), C295 (= C298), Q342 (≠ H345), K345 (= K348), E392 (= E396), F394 (= F398)
Query Sequence
>BPHYT_RS09900 FitnessBrowser__BFirm:BPHYT_RS09900
MTEHKLAATLPHTMFINGEKTGSAAGKTFPVFNPATAEEIAQIPDASEADIDHAVRTSKA
AFESDAWRRMPPAVREGLLLKLADLVERHSDELATLETLNQGKLIGFSKMLEVAGSVQWL
RYMAGWATKIEGSTFDLSIPFPPGTRYNASTKRVPAGVVAAIVPWNFPLLMAVWKIAPAL
ACGCTVVLKPAEETPLTAIRLAELAHEAGFPAGVFNVVTGRGETAGAALVRHPLVKKVTF
TGSTEVGRIIGRQCADDLKRASLELGGKSPVIVLDDCDPRKAIEGAAGAIFFNHGQVCTA
GSRLYVARSIYDEVVQGIAAVADGITLGSGFDAATQMGPMVSARHRDKVAGMIAQGKDEG
GEIVSRDARVEREGYFVRPTVIANRACKPLAVVKEEVFGPVLVAMPYDDLDEVLAQANAS
EYGLGASVWTNQLDKALRLVDGIEAGTVWVNTHNMVDPAMPFGGFKASGIGREHGKSIIE
SYTESKSVCIAY
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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