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Human curated protein

O00116

Alkyldihydroxyacetonephosphate synthase, peroxisomal

Gene: AGPS Organism: Homo sapiens Reviewed UniProt
Length 658 aa
Mass 72,912 Da
Annotation score 5/5
Entry version 205
Ligand records 166

Overview

Catalyzes the exchange of the acyl chain in acyl-dihydroxyacetonephosphate (acyl-DHAP) for a long chain fatty alcohol, yielding the first ether linked intermediate, i.e.

Function

Molecular function, catalytic activity, and Gene Ontology annotations.

1 EC 6 GO

Catalyzes the exchange of the acyl chain in acyl-dihydroxyacetonephosphate (acyl-DHAP) for a long chain fatty alcohol, yielding the first ether linked intermediate, i.e. alkyl-dihydroxyacetonephosphate (alkyl-DHAP), in the pathway of ether lipid biosynthesis

EC 2.5.1.26 RHEA:36171

a long chain fatty alcohol + a 1-acylglycerone 3-phosphate = a 1-O-alkylglycerone 3-phosphate + a long-chain fatty acid + H(+)

RHEA:40659

hexadecan-1-ol + 1-hexadecanoylglycerone 3-phosphate = 1-O-hexadecylglycerone 3-phosphate + hexadecanoate + H(+)

RHEA:40727

1-hexadecanoylglycerone 3-phosphate + a long-chain fatty acid = a 1-acylglycerone 3-phosphate + hexadecanoate

Biological process

ether lipid biosynthetic process lipid biosynthetic process

Cellular component

cytosol membrane mitochondrion peroxisomal matrix peroxisomal membrane peroxisome

Molecular function

alkylglycerone-phosphate synthase activity FAD binding

Sequence

658 amino acids

MAEAAAAAGGTGLGAGASYGSAADRDRDPDPDRAGRRLRVLSGHLLGRPREALSTNECKARRAASAATAAPTATPAAQESGTIPKKRQEVMKWNGWGYNDSKFIFNKKGQIELTGKRYPLSGMGLPTFKEWIQNTLGVNVEHKTTSKASLNPSDTPPSVVNEDFLHDLKETNISYSQEADDRVFRAHGHCLHEIFLLREGMFERIPDIVLWPTCHDDVVKIVNLACKYNLCIIPIGGGTSVSYGLMCPADETRTIISLDTSQMNRILWVDENNLTAHVEAGITGQELERQLKESGYCTGHEPDSLEFSTVGGWVSTRASGMKKNIYGNIEDLVVHIKMVTPRGIIEKSCQGPRMSTGPDIHHFIMGSEGTLGVITEATIKIRPVPEYQKYGSVAFPNFEQGVACLREIAKQRCAPASIRLMDNKQFQFGHALKPQVSSIFTSFLDGLKKFYITKFKGFDPNQLSVATLLFEGDREKVLQHEKQVYDIAAKFGGLAAGEDNGQRGYLLTYVIAYIRDLALEYYVLGESFETSAPWDRVVDLCRNVKERITRECKEKGVQFAPFSTCRVTQTYDAGACIYFYFAFNYRGISDPLTVFEQTEAAAREEILANGGSLSHHHGVGKLRKQWLKESISDVGFGMLKSVKEYVDPNNIFGNRNLL
Chain
59–658 Alkyldihydroxyacetonephosphate synthase, peroxisomal
Domain
202–384 FAD-binding PCMH-type
Region
1–41 Disordered
63–86 Disordered
615–617 Important for enzyme activity
654–658 Important for enzyme activity

Ligand evidence

Ligands grouped by evidence source, via the same LigQ_2 pipeline used across Target.

166 records
Chemistry signal

Structural and bioactivity evidence are both available for this target.

Direct evidence 0 same-protein records
Transferred evidence 116 records from similar proteins
Structural ligands 63 0 loaded crystals
Measured bioactivity 53 direct and transferred ChEMBL records
Proposed compounds 50 similarity-based ZINC candidates
Show only:
Ligand Source crystal UniProt (homolog) MW · LogP · TPSA Lipinski PAINS SMILES
0SK RCSB PDB A0R607 417.4 Da LogP 3.21 TPSA 83.9 ✓ Ro5 ✓ Clean C[C@H]1COC2(O1)CCN(CC2)C3=NC(=O)c4cc(cc(c4S3)NO…
0SK RCSB PDB P9WJF1 417.4 Da LogP 3.21 TPSA 83.9 ✓ Ro5 ✓ Clean C[C@H]1COC2(O1)CCN(CC2)C3=NC(=O)c4cc(cc(c4S3)NO…
0T4 RCSB PDB P9WJF1 324.3 Da LogP 4.00 TPSA 61.4 ✓ Ro5 ✓ Clean CC(c1ccccc1)NC(=O)c2cc(cc(c2)NO)C(F)(F)F
0T5 RCSB PDB P9WJF1 338.3 Da LogP 4.10 TPSA 72.2 ✓ Ro5 ✓ Clean CC(c1ccccc1)NC(=O)c2cc(cc(c2)[N+](=O)[O-])C(F)(…
1DO RCSB PDB P97275 186.3 Da LogP 3.90 TPSA 20.2 ✓ Ro5 ✓ Clean CCCCCCCCCCCCO
1W6 RCSB PDB P9WJF1 375.4 Da LogP 3.50 TPSA 97.4 ✓ Ro5 ✓ Clean CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2
245 RCSB PDB E3T1W8 247.7 Da LogP 3.38 TPSA 54.0 ✓ Ro5 ✓ Clean c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl
26J RCSB PDB P9WJF1 442.5 Da LogP 4.18 TPSA 68.7 ✓ Ro5 ✓ Clean c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)CC4CCCCC4)NO)C…
2HG RCSB PDB Q8N465 148.1 Da LogP -0.70 TPSA 94.8 ✓ Ro5 ✓ Clean C(CC(=O)O)[C@H](C(=O)O)O
2J3 RCSB PDB P9WJF1 192.3 Da LogP 0.17 TPSA 58.9 ✓ Ro5 ✓ Clean C[C@H](CO)OC[C@@H](C)OC[C@@H](C)O
2R2 RCSB PDB P9WJF1 432.4 Da LogP 2.94 TPSA 88.8 ✓ Ro5 ✓ Clean Cc1c(cc2c(c1[N+](=O)[O-])sc(n2)C(=O)N3CCN(CC3)C…
36C RCSB PDB P9WJF1 365.3 Da LogP 4.10 TPSA 75.1 ✓ Ro5 ✓ Clean c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)F
38C RCSB PDB P9WJF1 377.3 Da LogP 3.97 TPSA 84.3 ✓ Ro5 ✓ Clean COc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O
67K RCSB PDB H8Y6P5 200.2 Da LogP 1.66 TPSA 63.1 ✓ Ro5 ✓ Clean c1ccnc(c1)c2cc(cc(n2)C=O)O
67L RCSB PDB H8Y6P5 202.2 Da LogP 1.34 TPSA 66.2 ✓ Ro5 ✓ Clean c1ccnc(c1)c2cc(cc(n2)CO)O
973 RCSB PDB P08373 348.8 Da LogP 5.36 TPSA 46.5 1 viol. ✓ Clean c1ccc2c(c1)cccc2\C=C/3\C(=C(C(=O)O3)c4ccc(cc4)C…
9T2 RCSB PDB P9WJF1 393.4 Da LogP 3.64 TPSA 97.4 ✓ Ro5 ✓ Clean CCOC(=O)NC(=O)c1cc(sc1NC(=O)c2nc3ccccc3s2)F
AKG RCSB PDB Q8N465 146.1 Da LogP -0.50 TPSA 91.7 ✓ Ro5 ✓ Clean C(CC(=O)O)C(=O)C(=O)O
AKY RCSB PDB Q0PCD7 811.9 Da LogP 3.16 TPSA 217.0 2 viol. Alert CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3…
AWB RCSB PDB P97275 548.6 Da LogP 3.48 TPSA 157.3 1 viol. ✓ Clean CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1…
B2Z RCSB PDB P97275 341.4 Da LogP 3.37 TPSA 77.8 ✓ Ro5 ✓ Clean C[C@@H](CC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)N2)c3cc…
BEZ RCSB PDB Q0SBK1 122.1 Da LogP 1.38 TPSA 37.3 ✓ Ro5 ✓ Clean c1ccc(cc1)C(=O)O
CIY RCSB PDB Q0SBK1 178.2 Da LogP 1.61 TPSA 46.5 ✓ Ro5 ✓ Clean COc1cc(ccc1O)/C=C/C=O
EDZ RCSB PDB E3T1W8 264.3 Da LogP 1.72 TPSA 87.1 ✓ Ro5 ✓ Clean c1ccc(c(c1)CCO)NC(=O)Nc2cnns2
EEB RCSB PDB P08373 693.4 Da LogP -3.76 TPSA 332.2 3 viol. ✓ Clean CCC(C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)…
EPT RCSB PDB P56216 192.3 Da LogP 3.91 TPSA 20.2 ✓ Ro5 ✓ Clean CCCCCCCc1ccc(cc1)O
EPU RCSB PDB P08373 677.4 Da LogP -4.03 TPSA 332.2 3 viol. ✓ Clean CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@]…
EQ8 RCSB PDB P9WJF1 491.5 Da LogP 1.94 TPSA 101.6 ✓ Ro5 ✓ Clean c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)S(=O)(=O)C4CCC…
EUG RCSB PDB P56216 164.2 Da LogP 2.43 TPSA 29.5 ✓ Ro5 ✓ Clean C/C=C/c1ccc(c(c1)OC)O
F6T RCSB PDB P97275 345.3 Da LogP 2.94 TPSA 77.8 ✓ Ro5 ✓ Clean C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3c(cccc3F)F
FAA RCSB PDB P56216 891.7 Da LogP -2.41 TPSA 377.0 3 viol. ✓ Clean Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([…
FCR RCSB PDB P56216 162.1 Da LogP 2.41 TPSA 20.2 ✓ Ro5 ✓ Clean c1cc(ccc1C(F)(F)F)O
FDZ RCSB PDB E3T1W8 304.3 Da LogP 3.08 TPSA 76.1 ✓ Ro5 ✓ Clean c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2
FYC RCSB PDB P97275 325.3 Da LogP 2.71 TPSA 77.8 ✓ Ro5 ✓ Clean C/C(=C\c1ccccc1F)/C(=O)NCc2ccc3c(c2)NC(=O)N3
G1H RCSB PDB P9WJF1 371.3 Da LogP 3.88 TPSA 89.5 ✓ Ro5 ✓ Clean C[C@@H]1CCC[C@@H](N1C2=NC(=O)c3cc(cc(c3O2)[N+](…
G1T RCSB PDB P9WJF1 345.3 Da LogP 3.47 TPSA 65.5 ✓ Ro5 ✓ Clean c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F
KQS RCSB PDB P97275 327.4 Da LogP 2.81 TPSA 77.8 ✓ Ro5 ✓ Clean C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3ccccc3F
LAC RCSB PDB Q8N465 90.1 Da LogP -0.55 TPSA 57.5 ✓ Ro5 ✓ Clean C[C@H](C(=O)O)O
LUZ RCSB PDB A9D9D1 164.1 Da LogP -0.99 TPSA 91.5 ✓ Ro5 ✓ Clean c1cnc2c(n1)C(=O)NC(=O)N2
MLI RCSB PDB B2ZWE9 102.0 Da LogP -3.12 TPSA 80.3 ✓ Ro5 ✓ Clean C(C(=O)[O-])C(=O)[O-]
MLT RCSB PDB Q8N465 134.1 Da LogP -1.09 TPSA 94.8 ✓ Ro5 ✓ Clean C([C@H](C(=O)O)O)C(=O)O
N77 RCSB PDB P9WJF1 384.3 Da LogP 2.68 TPSA 101.2 ✓ Ro5 ✓ Clean c1cc(cnc1)CNC(=O)c2[n+](c3cc(cc(c3s2)NO)C(F)(F)…
NCR RCSB PDB P56216 153.1 Da LogP 1.61 TPSA 63.4 ✓ Ro5 ✓ Clean Cc1ccc(c(c1)[N+](=O)[O-])O
O95 RCSB PDB P9WJF1 414.4 Da LogP 3.19 TPSA 87.0 ✓ Ro5 ✓ Clean Cc1c(cc2c(c1NO)sc(n2)C3=N[C@@H](CO3)C(=O)N4CCCC…
OHZ RCSB PDB E3T1W8 374.7 Da LogP 4.42 TPSA 70.6 ✓ Ro5 ✓ Clean c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)OC(F)(F)F
OHZ RCSB PDB A0A1D6QQD6 374.7 Da LogP 4.42 TPSA 70.6 ✓ Ro5 ✓ Clean c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)OC(F)(F)F
OJ2 RCSB PDB E3T1W8 340.3 Da LogP 3.76 TPSA 70.6 ✓ Ro5 ✓ Clean c1ccc(c(c1)CCO)NC(=O)Nc2cccc(c2)OC(F)(F)F
P95 RCSB PDB P9WJF1 382.4 Da LogP 3.05 TPSA 109.8 ✓ Ro5 ✓ Clean c1cnc(nc1)NC(=O)c2ccsc2NC(=O)c3nc4cnccc4s3
PCR RCSB PDB P09788 108.1 Da LogP 1.70 TPSA 20.2 ✓ Ro5 ✓ Clean Cc1ccc(cc1)O
PE5 RCSB PDB O64743 398.5 Da LogP 0.13 TPSA 94.1 ✓ Ro5 ✓ Clean CCOCCOCCOCCOCCOCCOCCOCCOCCO
PL3 RCSB PDB O96759 242.4 Da LogP 5.46 TPSA 20.2 1 viol. ✓ Clean CCCCCCCCCCCCCCCCO
R26 RCSB PDB P9WJF1 372.3 Da LogP 3.83 TPSA 98.9 ✓ Ro5 ✓ Clean c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C#N
R57 RCSB PDB P9WJF1 395.3 Da LogP 4.11 TPSA 84.3 ✓ Ro5 ✓ Clean COc1ccc(cc1F)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O
R58 RCSB PDB P9WJF1 391.3 Da LogP 4.36 TPSA 84.3 ✓ Ro5 ✓ Clean CCOc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O
RG2 RCSB PDB P9WJF1 381.7 Da LogP 4.61 TPSA 75.1 ✓ Ro5 ✓ Clean c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)Cl
S2G RCSB PDB Q8N465 148.1 Da LogP -0.70 TPSA 94.8 ✓ Ro5 ✓ Clean C(CC(=O)O)[C@@H](C(=O)O)O
SLX RCSB PDB P30986 327.4 Da LogP 2.77 TPSA 62.2 ✓ Ro5 Alert COc1ccc2c(c1O)C[N@]3CCc4cc(c(cc4[C@@H]3C2)O)OC
TIR RCSB PDB D3Y1I2 403.5 Da LogP 2.09 TPSA 105.1 ✓ Ro5 ✓ Clean C[C@H]1[C@H]2[C@H](C=C([C@](O2)(O[C@@H]1[C@H](C…
TRK RCSB PDB D3Y1I2 401.5 Da LogP 2.30 TPSA 101.9 ✓ Ro5 ✓ Clean C[C@H]1[C@H]2C(=O)C=C([C@](O2)(O[C@@H]1[C@H](C)…
V55 RCSB PDB Q0SBK1 152.1 Da LogP 1.21 TPSA 46.5 ✓ Ro5 ✓ Clean COc1cc(ccc1O)C=O
XE RCSB PDB B2ZWE9 131.3 Da LogP 0.00 TPSA 0.0 ✓ Ro5 ✓ Clean [Xe]
Y22 RCSB PDB P9WJF1 415.3 Da LogP 4.98 TPSA 75.1 ✓ Ro5 ✓ Clean c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C(F…
ZME RCSB PDB E3T1W8 199.2 Da LogP 1.45 TPSA 59.4 ✓ Ro5 ✓ Clean Cc1ccn(c1)c2c3c([nH]cn3)ncn2

Cross-references

External database identifiers grouped by category.

Structure

  • AlphaFoldDBO00116
  • SMRO00116

Family & domains

  • Gene3D3.30.160.650
  • Gene3D3.30.300.330
  • Gene3D3.30.465.10
  • Gene3D3.30.70.3450
  • Gene3D3.30.43.10
  • Gene3D1.10.45.10
  • InterProIPR025650
  • InterProIPR004113
  • InterProIPR016166
  • InterProIPR036318
  • InterProIPR016167
  • InterProIPR016169
  • InterProIPR016164
  • InterProIPR006094
  • InterProIPR016171
  • PANTHERPTHR46568
  • PANTHERPTHR46568:SF1
  • PfamPF02913
  • PfamPF01565
  • SUPFAMSSF56176
  • SUPFAMSSF55103
  • PROSITEPS51387

Sequence

  • EMBLY09443
  • EMBLAY544121
  • EMBLAK314259
  • EMBLBC141820
  • CCDSCCDS2275.1
  • RefSeqNP_003650.1

Genome annotation

  • EnsemblENST00000264167.11
  • GeneID8540
  • KEGGhsa:8540
  • MANE-SelectENST00000264167.11
  • UCSCuc002ull.3
  • GenomeRNAi8540

Organism databases

  • CTD8540
  • DisGeNET8540
  • GeneCardsAGPS
  • HGNCHGNC:327
  • MIM600121
  • MIM603051

Expression

  • BgeeENSG00000018510
  • ExpressionAtlasO00116

Phylogenomics

  • eggNOGKOG1233
  • GeneTreeENSGT00940000156112
  • HOGENOMCLU_017779_2_2_1
  • InParanoidO00116
  • OMAGTISHQH
  • OrthoDB7786253at2759
  • PhylomeDBO00116

Proteomic

  • jPOSTO00116
  • MassIVEO00116
  • PaxDb9606-ENSP00000264167
  • ProteomicsDB47718

Other

  • BioGRID114110
  • CORUMO00116
  • FunCoupO00116
  • IntActO00116
  • MINTO00116
  • STRING9606.ENSP00000264167
  • ChEMBLCHEMBL4295643
  • SwissLipidsSLP:000000611
  • GlyGenO00116
  • iPTMnetO00116
  • MetOSiteO00116
  • PhosphoSitePlusO00116
  • SwissPalmO00116
  • BioMutaAGPS
  • PeptideAtlasO00116
  • PumbaO00116
  • Antibodypedia33922
  • DNASU8540
  • AGRHGNC:327
  • ClinPGxPA24624
  • HPAENSG00000018510
  • MalaCardsAGPS
  • OpenTargetsENSG00000018510
  • Orphanet309803
  • VEuPathDBHostDB:ENSG00000018510
  • PAN-GOO00116
  • BioCycMetaCyc:HS00389-MONOMER
  • BRENDA2.5.1.26
  • PathwayCommonsO00116
  • ReactomeR-HSA-75896
  • ReactomeR-HSA-9033241
  • ReactomeR-HSA-9033500
  • SignaLinkO00116
  • UniPathwayUPA00781
  • AgoraENSG00000018510
  • BioGRID-ORCS8540
  • ChiTaRSAGPS
  • PharosO00116
  • PROPR:O00116
  • ProteomesUP000005640
  • RNActO00116
  • GOGO:0005829
  • GOGO:0016020
  • GOGO:0005739
  • GOGO:0005782
  • GOGO:0005778
  • GOGO:0005777
  • GOGO:0008609
  • GOGO:0071949
  • GOGO:0008611
  • GOGO:0008610
  • FunFam1.10.45.10:FF:000002
  • FunFam3.30.160.650:FF:000001
  • FunFam3.30.300.330:FF:000001
  • FunFam3.30.43.10:FF:000003
  • FunFam3.30.465.10:FF:000011
  • FunFam3.30.70.3450:FF:000001