UniProt P04181
Ornithine aminotransferase, mitochondrial (P04181)
Ornithine aminotransferase, mitochondrial (UniProt P04181), EC 2.6.1.13: 33 experimental structures and 1 predicted model on GenesisL1, 19 ligands bound, 36 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P04181
- Protein
- Ornithine aminotransferase, mitochondrial
- EC
- 2.6.1.13
- Experimental structures
- 33
- Predicted models
- 1
- Ligands
- 19
- Pockets
- 36 · 4 records with a druggable one
Structures
34 records of P04181 in the MolNFT archive: 33 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1GBN | Human ornithine aminotransferase complexed with the neurotoxin gabaculine | x-ray diffraction | A, B, C | — | — |
| 1GBN | Human ornithine aminotransferase complexed with the neurotoxin gabaculine | x-ray diffraction | A, B, C | — | — |
| 1OAT | Ornithine aminotransferase | x-ray diffraction | A, B, C | — | — |
| 1OAT | Ornithine aminotransferase | x-ray diffraction | A, B, C | — | — |
| 2BYJ | Ornithine aminotransferase mutant Y85I | x-ray diffraction | A, B, C | — | — |
| 2BYJ | Ornithine aminotransferase mutant Y85I | x-ray diffraction | A, B, C | — | — |
| 2BYL | Structure of ornithine aminotransferase triple mutant Y85I Y55A G320F | x-ray diffraction | A, B, C | — | — |
| 2BYL | Structure of ornithine aminotransferase triple mutant Y85I Y55A G320F | x-ray diffraction | A, B, C | — | — |
| 2CAN | Human ornithine aminotransferase complexed with L-canaline | x-ray diffraction | A, B, C | — | — |
| 2CAN | Human ornithine aminotransferase complexed with L-canaline | x-ray diffraction | A, B, C | — | — |
| 2OAT | Ornithine aminotransferase complexed with 5-fluoromethylornithine | x-ray diffraction | A, B, C | — | — |
| 2OAT | Ornithine aminotransferase complexed with 5-fluoromethylornithine | x-ray diffraction | A, B, C | — | — |
| 5VWO | Ornithine aminotransferase inactivated by (1R,3S,4S)-3-amino-4- fluorocyclopentane-1-carboxylic… | x-ray diffraction | A, B, C | 9QJ | — |
| 6HX7 | Crystal structure of human R180T variant of ORNITHINE AMINOTRANSFERASE at 1.8 Angstrom | x-ray diffraction | A, B, C | PLP | — |
| 6HX7 | Crystal structure of human R180T variant of ornithine aminotransferase at 1.8 ångström | x-ray diffraction | A, B, C | PLP | — |
| 6OIA | (1S,3S)-3-amino-4-(perfluoropropan-2-YLIDENE)CYCLOPENTANE-1-carboxylic acid hydrochloride, a potent… | x-ray diffraction | A, B, C | PLP, MQ4 | — |
| 6V8C | Design, synthesis, and mechanism of fluorine-substituted cyclohexene analogues of gama-aminobutyric… | x-ray diffraction | A, B, C | PLP, QRM | — |
| 6V8D | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric… | x-ray diffraction | A, B, C | PLP, O78 | 7 (best 0.77) |
| 6V8D | Design, synthesis, and mechanism of fluorine-substituted cyclohexene analogues of gama-aminobutyric… | x-ray diffraction | A, B, C | PLP, O78 | — |
| 7JX9 | The crystal structure of human ornithine aminotransferase with an intermediate bound during… | x-ray diffraction | A, B, C | IF1, VLS | — |
| 7LK0 | Ornithine aminotransferase (oat) cocrystallized with its potent inhibitor… | x-ray diffraction | A, B, C | Y3D | — |
| 7LK1 | Ornithine aminotransferase (oat) with its potent inhibitor - (S)-3… | x-ray diffraction | A, B, C | Y37 | — |
| 7LNM | Ornithine aminotransferase (oat) cocrystallized with its inactivator… | x-ray diffraction | B, C, E, F, I, J | Y7S | — |
| 7LOM | Ornithine aminotransferase (oat) soaked with its inactivator - (1S… | x-ray diffraction | A, B, C | Y8P, YCD | — |
| 7LON | Ornithine Aminotransferase (OAT) cocrystallized with its inactivator… | x-ray diffraction | B, A, C | THR, 7QP | 16 (best 0.66) |
| 7LON | Ornithine aminotransferase (oat) cocrystallized with its inactivator… | x-ray diffraction | B, A, C | 7QP | — |
| 7T9Z | Human Ornithine Aminotransferase (hOAT) crystallized at pH 6.0 | x-ray diffraction | A, B, C | PLP | 9 (best 0.76) |
| 7T9Z | Human ornithine aminotransferase (hoat) crystallized at pH 6.0 | x-ray diffraction | A, B, C | PLP | — |
| 7TA0 | Human ornithine aminotransferase (hoat) soaked with 5-aminovaleric acid | x-ray diffraction | A, B, C | I3B, PO4 | — |
| 7TA1 | Human ornithine aminotransferase (hoat) soaked with gamma-aminobutyric acid | x-ray diffraction | A, B, C, D, E, F | PLZ, PLP | — |
| 7TED | Human ornithine aminotransferase cocrystallized with its inhibitor… | x-ray diffraction | A, B, C, D, E, F, G, H, I | I1T, PLP | — |
| 7TEV | Human ornithine aminotransferase cocrystallized with its inhibitor… | x-ray diffraction | A, B, C | I1T | — |
| 7TFP | Human ornithine aminotransferase cocrystallized with its inhibitor… | x-ray diffraction | A, B, C | PLP, I2V | — |
| P04181 | AlphaFold monomer V2.0 prediction for ornithine aminotransferase, mitochondrial (P04181) | predicted | A | — | 4 (best 0.54) |
Ligands
- PLP · Pyridoxal-5'-phosphate · in 11 records
- 7QP · (1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy) methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid · in 2 records
- I1T · (1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl) amino]cyclopentane-1-carboxylic acid · in 2 records
- O78 · (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid · in 2 records
- 9QJ · (1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy) methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid · in 1 record
- I2V · (1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid · in 1 record
- I3B · 5-[({3-hydroxy-2-methyl-5-[(phosphonooxy) methyl]pyridin-4-yl}methyl)amino]pentanoic acid · in 1 record
- IF1 · (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid · in 1 record
- MQ4 · (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid · in 1 record
- PLZ · 4-[({3-hydroxy-2-methyl-5-[(phosphonooxy) methyl]pyridin-4-yl}methyl)amino]butanoic acid · in 1 record
- PO4 · Phosphate ion · in 1 record
- QRM · 3-aminocyclohexa-1,3-diene-1-carboxylic acid · in 1 record
- THR · Threonine · in 1 record
- VLS · N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine · in 1 record
- Y37 · (1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl) amino]cyclopent-2-ene-1-carboxylic acid · in 1 record
- Y3D · (1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy) methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid · in 1 record
- Y7S · (1~{R},3~{S},4~{R})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid · in 1 record
- Y8P · (3~{S},4~{S})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid · in 1 record
- YCD · (4~{R})-4-(fluoranylmethyl)-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid · in 1 record
Experiment against prediction
- 6OIA chain A against the predicted model P04181: TM-score 1.00, RMSD 0.22 Å
- 2BYJ chain A against the predicted model P04181: TM-score 1.00, RMSD 0.28 Å
- 2BYJ chain A against the predicted model P04181: TM-score 1.00, RMSD 0.28 Å
- 7TA0 chain A against the predicted model P04181: TM-score 1.00, RMSD 0.29 Å
- 5VWO chain A against the predicted model P04181: TM-score 1.00, RMSD 0.29 Å
- 6V8D chain B against the predicted model P04181: TM-score 1.00, RMSD 0.31 Å
- 2BYL chain A against the predicted model P04181: TM-score 1.00, RMSD 0.31 Å
- 2BYL chain A against the predicted model P04181: TM-score 1.00, RMSD 0.31 Å
- 6HX7 chain A against the predicted model P04181: TM-score 1.00, RMSD 0.32 Å
- 6HX7 chain A against the predicted model P04181: TM-score 1.00, RMSD 0.32 Å
Elsewhere
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