UniProt Q9HW02
UDP-N-acetylmuramate--L-alanine ligase (Q9HW02)
UDP-N-acetylmuramate--L-alanine ligase (UniProt Q9HW02), EC 6.3.2.8: 13 experimental structures and 1 predicted model on GenesisL1, 10 ligands bound, 101 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q9HW02
- Protein
- UDP-N-acetylmuramate--L-alanine ligase
- EC
- 6.3.2.8
- Experimental structures
- 13
- Predicted models
- 1
- Ligands
- 10
- Pockets
- 101 · 10 records with a druggable one
Structures
14 records of Q9HW02 in the MolNFT archive: 13 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5VVW | Structure of MurC from Pseudomonas aeruginosa | x-ray diffraction | A, B, C, D, E, F, G, H | — | 20 (best 0.59) |
| 5VVW | Structure of murc from pseudomonas aeruginosa | x-ray diffraction | A, B, C, D, E, F, G, H | — | — |
| 6X9F | Pseudomonas aeruginosa MurC with AZ8074 | x-ray diffraction | A, B, C, D, E, F, G, H | UXP, CL | 20 (best 0.61) |
| 6X9F | Pseudomonas aeruginosa murc with AZ8074 | x-ray diffraction | A, B, C, D, E, F, G, H | UXP, CL | — |
| 6X9N | Pseudomonas aeruginosa MurC with AZ5595 | x-ray diffraction | A, B, C, D, E, F, G, H | UYD, CL, VAL | 20 (best 0.59) |
| 6X9N | Pseudomonas aeruginosa murc with AZ5595 | x-ray diffraction | A, B, C, D, E, F, G, H | UYD, CL | — |
| 8DOF | Pseudomonas aeruginosa MurC with WYH9-2-P - OSA_001044 | x-ray diffraction | A | T4L, SO4 | 1 (best 0.58) |
| 8DOF | Pseudomonas aeruginosa murc with WYH9-2-P - OSA_001044 | x-ray diffraction | A | T4L, SO4 | — |
| 8EGM | Crystal Structure of UDP-N-acetylmuramate-L-alanine ligase (UDP-N-acetylmuramoyl-L-alanine… | x-ray diffraction | A, B, C, D, E, F, G, H | WIU, SO4 | 20 (best 0.60) |
| 8EGN | Crystal Structure of UDP-N-acetylmuramate-L-alanine ligase (UDP-N-acetylmuramoyl-L-alanine… | x-ray diffraction | A, B | WIR, SO4 | 7 (best 0.58) |
| 8EWA | Crystal Structure of UDP-N-acetylmuramate-L-alanine ligase (UDP-N-acetylmuramoyl-L-alanine… | x-ray diffraction | A, B | WYI, SO4, CL | 9 (best 0.61) |
| 9D9K | Crystal structure of MurC from Pseudomonas aeruginosa in complex with inhibitor M17 | x-ray diffraction | A | SO4, CL, A1A23 | 1 (best 0.58) |
| 9D9M | Crystal structure of MurC from Pseudomonas aeruginosa in complex (sulfate bound) | x-ray diffraction | A | SO4, CL | 1 (best 0.57) |
| Q9HW02 | AlphaFold monomer V2.0 prediction for udp-N-acetylmuramate--L-alanine ligase (Q9HW02) | predicted | A | — | 2 (best 0.76) |
Ligands
- CL · Chloride ion · in 7 records
- SO4 · Sulfate ion · in 7 records
- T4L · (2R)-2-cyclohexyl-2-[(4-{[5-(propan-2-yl)-1H-pyrazol-3-yl]amino}-1H-pyrazolo[3,4-d]pyrimidin-6-yl) amino]ethan-1-ol · in 2 records
- UXP · [(2R)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol · in 2 records
- UYD · (2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl) amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol · in 2 records
- A1A23 · 2-{[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}pyridine-3-carboxylic acid · in 1 record
- VAL · Valine · in 1 record
- WIR · (1R,2S)-1-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2,3-dihydro-1H-inden-2-ol · in 1 record
- WIU · (2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2-aminoethyl)carbamate · in 1 record
- WYI · (2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2R)-2-(aminomethyl)morpholine-4-carboxylate · in 1 record
Experiment against prediction
- 8EGM chain G against the predicted model Q9HW02: TM-score 0.87, RMSD 2.70 Å
- 8EGM chain C against the predicted model Q9HW02: TM-score 0.87, RMSD 2.72 Å
- 8EGM chain A against the predicted model Q9HW02: TM-score 0.87, RMSD 2.75 Å
- 6X9N chain G against the predicted model Q9HW02: TM-score 0.87, RMSD 2.76 Å
- 5VVW chain D against the predicted model Q9HW02: TM-score 0.87, RMSD 2.76 Å
- 8EGM chain D against the predicted model Q9HW02: TM-score 0.87, RMSD 2.76 Å
- 6X9F chain G against the predicted model Q9HW02: TM-score 0.87, RMSD 2.77 Å
- 8EGM chain E against the predicted model Q9HW02: TM-score 0.87, RMSD 2.74 Å
- 6X9N chain C against the predicted model Q9HW02: TM-score 0.87, RMSD 2.80 Å
- 6X9N chain D against the predicted model Q9HW02: TM-score 0.87, RMSD 2.78 Å
Elsewhere
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