UniProt P15555
D-alanyl-D-alanine carboxypeptidase (P15555)
D-alanyl-D-alanine carboxypeptidase (UniProt P15555), EC 3.4.16.4: 30 experimental structures and 1 predicted model on GenesisL1, 16 ligands bound, 30 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P15555
- Protein
- D-alanyl-D-alanine carboxypeptidase
- EC
- 3.4.16.4
- Experimental structures
- 30
- Predicted models
- 1
- Ligands
- 16
- Pockets
- 30 · 30 records with a druggable one
Structures
31 records of P15555 in the MolNFT archive: 30 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1CEF | Cefotaxime complexed with the streptomyces R61 dd-peptidase | x-ray diffraction | A | CEF | 1 (best 0.56) |
| 1CEF | Cefotaxime complexed with the streptomyces R61 dd-peptidase | x-ray diffraction | A | CEF | 1 (best 0.56) |
| 1CEG | Cephalothin complexed with dd-peptidase | x-ray diffraction | A | CEP | 1 (best 0.56) |
| 1CEG | Cephalothin complexed with dd-peptidase | x-ray diffraction | A | CEP | 1 (best 0.56) |
| 1HVB | Crystal structure of streptomyces R61 dd-peptidase complexed with a novel cephalosporin analog of… | x-ray diffraction | A | CEH | 1 (best 0.56) |
| 1HVB | Crystal structure of streptomyces R61 dd-peptidase complexed with a novel cephalosporin analog of… | x-ray diffraction | A | CEH | 1 (best 0.56) |
| 1IKG | Michaelis complex of streptomyces R61 dd-peptidase with a specific peptidoglycan substrate fragment | x-ray diffraction | A | REX | 1 (best 0.56) |
| 1IKG | Michaelis complex of streptomyces R61 dd-peptidase with a specific peptidoglycan substrate fragment | x-ray diffraction | A | REX | 1 (best 0.56) |
| 1IKI | Complex of streptomyces R61 dd-peptidase with the products of a specific peptidoglycan substrate… | x-ray diffraction | A | REY, DAL | 1 (best 0.56) |
| 1IKI | Complex of streptomyces R61 dd-peptidase with the products of a specific peptidoglycan substrate… | x-ray diffraction | A | REY, DAL | 1 (best 0.56) |
| 1MPL | Crystal structure of phosphonate-inhibited D-ala-D-ala peptidase reveals an analog of a tetrahedral… | x-ray diffraction | A | RE1 | 1 (best 0.55) |
| 1MPL | Crystal structure of phosphonate-inhibited D-ala-D-ala peptidase reveals an analog of a tetrahedral… | x-ray diffraction | A | RE1 | 1 (best 0.55) |
| 1PW1 | Non-Covalent Complex Of Streptomyces R61 DD-Peptidase With A Highly Specific Penicillin | x-ray diffraction | A | HEL, FOR | 1 (best 0.56) |
| 1PW1 | Non-covalent complex of streptomyces R61 dd-peptidase with a highly specific penicillin | x-ray diffraction | A | HEL, FOR | 1 (best 0.56) |
| 1PW8 | Covalent Acyl Enzyme Complex Of The R61 DD-Peptidase with A Highly Specific Cephalosporin | x-ray diffraction | A | H2A | 1 (best 0.55) |
| 1PW8 | Covalent acyl enzyme complex of the R61 dd-peptidase with a highly specific cephalosporin | x-ray diffraction | A | H2A | 1 (best 0.55) |
| 1PWC | penicilloyl acyl enzyme complex of the Streptomyces R61 DD-peptidase with penicillin G | x-ray diffraction | A | PNM | 1 (best 0.55) |
| 1PWC | Penicilloyl acyl enzyme complex of the streptomyces R61 dd-peptidase with penicillin G | x-ray diffraction | A | PNM | 1 (best 0.55) |
| 1PWD | Covalent acyl enzyme complex of the Streptomyces R61 DD-peptidase with cephalosporin C | x-ray diffraction | A | 0MU | 1 (best 0.55) |
| 1PWD | Covalent acyl enzyme complex of the streptomyces R61 dd-peptidase with cephalosporin C | x-ray diffraction | A | 0MU | 1 (best 0.55) |
| 1PWG | Covalent Penicilloyl Acyl Enzyme Complex Of The Streptomyces R61 DD-Peptidase With A Highly… | x-ray diffraction | A | HE0 | 1 (best 0.55) |
| 1PWG | Covalent penicilloyl acyl enzyme complex of the streptomyces R61 dd- peptidase with a highly… | x-ray diffraction | A | HE0 | 1 (best 0.55) |
| 1SCW | Toward better antibiotics: crystal structure of R61 dd-peptidase inhibited by a novel monocyclic… | x-ray diffraction | A | CP5 | 1 (best 0.54) |
| 1SCW | Toward better antibiotics: crystal structure of R61 dd-peptidase inhibited by a novel monocyclic… | x-ray diffraction | A | CP5 | 1 (best 0.54) |
| 1SDE | Toward Better Antibiotics: Crystal Structure Of D-Ala-D-Ala Peptidase inhibited by a novel bicyclic… | x-ray diffraction | A | 2PB | 1 (best 0.57) |
| 1SDE | Toward better antibiotics: crystal structure of D-ala-D-ala peptidase inhibited by a novel bicyclic… | x-ray diffraction | A | 2PB | 1 (best 0.57) |
| 1YQS | Inhibition of the R61 DD-Peptidase by N-benzoyl-beta-sultam | x-ray diffraction | A | BSA | 1 (best 0.56) |
| 1YQS | Inhibition of the R61 dd-peptidase by N-benzoyl-beta-sultam | x-ray diffraction | A | BSA | 1 (best 0.56) |
| 3PTE | The refined crystallographic structure of a dd-peptidase penicillin-target enzyme at 1.6 a… | x-ray diffraction | A | — | 1 (best 0.56) |
| 3PTE | The refined crystallographic structure of a dd-peptidase penicillin- target enzyme at 1.6 a… | x-ray diffraction | A | — | 1 (best 0.56) |
| P15555 | AlphaFold monomer V2.0 prediction for D-alanyl-D-alanine carboxypeptidase (P15555) | predicted | A | — | — |
Ligands
- 0MU · (2R)-5-(acetyloxymethyl)-2-[(1R)-1-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-2-oxidanylidene-ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid · in 2 records
- 2PB · 2-[(dioxidophosphino)oxy]benzoate · in 2 records
- BSA · 2-(benzoylamino)ethanesulfonic acid · in 2 records
- CEF · CEFOTAXIME, C3' cleaved, open, bound form · in 2 records
- CEH · 5-{3-(S)-(4-(R)-acetylamino-4-carboxy-butyrylamino)-3-[1-(R)-(1-(R)-carboxy-ethylcarbamoyl)-ethylcarbamoyl]-propyl}-2-( carboxy-phenylacetylamino-methyl)-3,6-dihydro-2H-[1,3]thiazine-4-carboxylic acid · in 2 records
- CEP · Cephalothin group · in 2 records
- CP5 · (2Z)-3-{[oxido(oxo)phosphino]oxy}-2-phenylacrylate · in 2 records
- DAL · D-alanine · in 2 records
- FOR · Formyl group · in 2 records
- H2A · (6R,7R)-3-[(acetyloxy)methyl]-7-{[(6S)-6-(glycylamino)-7-oxido-7-oxoheptanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate · in 2 records
- HE0 · (2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid · in 2 records
- HEL · (2S,5R,6R)-6-{[(6R)-6-(glycylamino)-7-oxido-7-oxoheptanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate · in 2 records
- PNM · Open form - penicillin G · in 2 records
- RE1 · Glycyl-L-A-aminopimelyl-E-(D-2-aminoethyl)phosphonate · in 2 records
- REX · Glycyl-L-alpha-amino-epsilon-pimelyl-D-alanyl-D-alanine · in 2 records
- REY · Glycyl-L-alpha-amino-epsilon-pimelyl-D-alanine · in 2 records
Experiment against prediction
- 1YQS chain A against the predicted model P15555: TM-score 1.00, RMSD 0.17 Å
- 1YQS chain A against the predicted model P15555: TM-score 1.00, RMSD 0.17 Å
- 1PWD chain A against the predicted model P15555: TM-score 1.00, RMSD 0.17 Å
- 1PWD chain A against the predicted model P15555: TM-score 1.00, RMSD 0.17 Å
- 1IKI chain A against the predicted model P15555: TM-score 1.00, RMSD 0.18 Å
- 1IKI chain A against the predicted model P15555: TM-score 1.00, RMSD 0.18 Å
- 1PWC chain A against the predicted model P15555: TM-score 1.00, RMSD 0.18 Å
- 1PWC chain A against the predicted model P15555: TM-score 1.00, RMSD 0.18 Å
- 1HVB chain A against the predicted model P15555: TM-score 1.00, RMSD 0.18 Å
- 1HVB chain A against the predicted model P15555: TM-score 1.00, RMSD 0.18 Å
Elsewhere
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