UniProt P22188
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase (P22188)
UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase (UniProt P22188), EC 6.3.2.13: 25 experimental structures and 1 predicted model on GenesisL1, 14 ligands bound, 128 pockets. Binding sites, druggability and…
- UniProt
- P22188
- Protein
- UDP-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6-diaminopimelate ligase
- EC
- 6.3.2.13
- Experimental structures
- 25
- Predicted models
- 1
- Ligands
- 14
- Pockets
- 128 · 8 records with a druggable one
Structures
26 records of P22188 in the MolNFT archive: 25 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1E8C | Structure of MurE the UDP-N-acetylmuramyl tripeptide synthetase from E. coli | x-ray diffraction | A, B | — | — |
| 1E8C | Structure of mure the udp-N-acetylmuramyl tripeptide synthetase from E. COLI | x-ray diffraction | A, B | — | — |
| 7B53 | Crystal structure of mure from E.COLI | x-ray diffraction | A, B | — | — |
| 7B60 | Crystal structure of MurE from E.coli in complex with Z1269139261 | x-ray diffraction | A, B | O3D | 20 (best 0.71) |
| 7B60 | Crystal structure of mure from E.COLI in complex with Z1269139261 | x-ray diffraction | A, B | O3D | — |
| 7B61 | Crystal structure of MurE from E.coli in complex with Z57299526 | x-ray diffraction | A, B | SYQ, T3Z | — |
| 7B61 | Crystal structure of mure from E.COLI in complex with Z57299526 | x-ray diffraction | A, B | SYQ, T3Z | — |
| 7B68 | Crystal structure of mure from E.COLI in complex with Z57299526 | x-ray diffraction | A, B | LVV | — |
| 7B6I | Crystal structure of MurE from E.coli in complex with Z1373445602 | x-ray diffraction | A, B | SZE | 17 (best 0.79) |
| 7B6I | Crystal structure of mure from E.COLI in complex with Z1373445602 | x-ray diffraction | A, B | SZE | — |
| 7B6J | Crystal structure of mure from E.COLI in complex with minifrag succinimide | x-ray diffraction | A, B | SZB | — |
| 7B6K | Crystal structure of MurE from E.coli in complex with Z57715447 | x-ray diffraction | A, B | SZ2 | 17 (best 0.70) |
| 7B6K | Crystal structure of mure from E.COLI in complex with Z57715447 | x-ray diffraction | A, B | SZ2 | — |
| 7B6L | Crystal structure of MurE from E.coli in complex with Z57299368 | x-ray diffraction | A, B | SZK | 20 (best 0.78) |
| 7B6L | Crystal structure of mure from E.COLI in complex with Z57299368 | x-ray diffraction | A, B | SZK | — |
| 7B6M | Crystal structure of mure from E.COLI in complex with Z1198948504 | x-ray diffraction | A, B | SZN | — |
| 7B6N | Crystal structure of MurE from E.coli in complex with Z757284952 | x-ray diffraction | A, B | SYZ | 17 (best 0.81) |
| 7B6N | Crystal structure of mure from E.COLI in complex with Z757284952 | x-ray diffraction | A, B | SYZ | — |
| 7B6O | Crystal structure of E.COLI mure mutant - C269S C340S C450S | x-ray diffraction | A, B | — | — |
| 7B6P | Crystal structure of E.COLI mure - C269S C340S C450S in complex with ELLMAN'S reagent | x-ray diffraction | A, B | 9JT | — |
| 7B6Q | Crystal structure of MurE from E.coli in complex with Z57299526 | x-ray diffraction | A, B | WZD | — |
| 7B6Q | Crystal structure of mure from E.COLI in complex with Z57299526 | x-ray diffraction | A, B | WZD | — |
| 7B9E | Crystal structure of MurE from E.coli in complex with Z275151340 | x-ray diffraction | A, B | JHP | 16 (best 0.80) |
| 7B9E | Crystal structure of mure from E.COLI in complex with Z275151340 | x-ray diffraction | A, B | JHP | — |
| 7B9W | Crystal structure of MurE from E.coli in complex with Z757284380 | x-ray diffraction | AAA, BBB | T4H | 17 (best 0.80) |
| P22188 | AlphaFold monomer V2.0 prediction for udp-N-acetylmuramoyl-L-alanyl… | predicted | A | — | 4 (best 0.70) |
Ligands
- JHP · 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide · in 2 records
- O3D · 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione · in 2 records
- SYQ · (S)-N-(1-cyclopropylethyl)-6-methylpicolinamide · in 2 records
- SYZ · N-(2-(2,4-dioxothiazolidin-3-yl)ethyl)-3-methylbenzamide · in 2 records
- SZ2 · 5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole · in 2 records
- SZE · 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one · in 2 records
- SZK · (1-ethyl-1H-benzoimidazol-2-yl)-furan-2-ylmethyl-aminee · in 2 records
- T3Z · (R)-N-(1-cyclopropylethyl)-6-methylpicolinamide · in 2 records
- WZD · N-[(furan-2-yl)methyl]-1H-benzimidazol-2-amine · in 2 records
- 9JT · ~{N}-phenyl-2-selanyl-benzamide · in 1 record
- LVV · 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide · in 1 record
- SZB · succinimide · in 1 record
- SZN · N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylbenzamide · in 1 record
- T4H · 3-Chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]benzamide · in 1 record
Experiment against prediction
- 1E8C chain A against the predicted model P22188: TM-score 0.98, RMSD 0.79 Å
- 1E8C chain A against the predicted model P22188: TM-score 0.98, RMSD 0.79 Å
- 1E8C chain B against the predicted model P22188: TM-score 0.98, RMSD 0.91 Å
- 1E8C chain B against the predicted model P22188: TM-score 0.98, RMSD 0.91 Å
- 7B6L chain B against the predicted model P22188: TM-score 0.81, RMSD 4.32 Å
- 7B6L chain B against the predicted model P22188: TM-score 0.81, RMSD 4.32 Å
- 7B6Q chain B against the predicted model P22188: TM-score 0.80, RMSD 4.37 Å
- 7B6Q chain B against the predicted model P22188: TM-score 0.80, RMSD 4.37 Å
- 7B61 chain B against the predicted model P22188: TM-score 0.80, RMSD 4.43 Å
- 7B61 chain B against the predicted model P22188: TM-score 0.80, RMSD 4.43 Å
Elsewhere
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