UniProt G3XD46
Peptidoglycan D,D-transpeptidase FtsI (G3XD46)
Peptidoglycan D,D-transpeptidase FtsI (UniProt G3XD46), EC 3.4.16.4: 55 experimental structures and 1 predicted model on GenesisL1, 22 ligands bound, 79 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- G3XD46
- Protein
- Peptidoglycan D,D-transpeptidase FtsI
- EC
- 3.4.16.4
- Experimental structures
- 55
- Predicted models
- 1
- Ligands
- 22
- Pockets
- 79 · 17 records with a druggable one
Structures
56 records of G3XD46 in the MolNFT archive: 55 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4KQO | Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with… | x-ray diffraction | A, B | — | — |
| 4KQO | Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with… | x-ray diffraction | A, B | — | — |
| 4KQQ | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH… | x-ray diffraction | A, B | — | — |
| 4KQQ | Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with… | x-ray diffraction | A, B | — | — |
| 4KQR | CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH… | x-ray diffraction | A, B | — | — |
| 4KQR | Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex with… | x-ray diffraction | A, B | — | — |
| 6HR4 | Apo form of penicillin-binding protein 3 from P. aeruginosa | x-ray diffraction | A | — | — |
| 6HR6 | Nitrocefin reacted with catalytic serine (SER294) of penicillin- binding protein 3 from pseudomonas… | x-ray diffraction | A | NEF | — |
| 6HR9 | Nitrocefin acylation of both catalytic serines of the Y409 mutant of penicillin-binding protein 3… | x-ray diffraction | A | NEF | — |
| 6HR9 | Nitrocefin acylation of both catalytic serines of the Y409 mutant of penicillin-binding protein 3… | x-ray diffraction | A | NEF | — |
| 6HZR | Apo structure of pseudomonas aeruginosa penicillin-binding protein 3 | x-ray diffraction | A | — | — |
| 6R3X | Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with piperacillin | x-ray diffraction | A | JPP | 6 (best 0.64) |
| 6R3X | Structure of pseudomonas aeruginosa penicillin-binding protein 3 (PBP3) in complex with piperacillin | x-ray diffraction | A | — | — |
| 6R40 | Apo structure of R504C mutant of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) | x-ray diffraction | A | — | 3 (best 0.56) |
| 6R40 | Apo structure of R504C mutant of pseudomonas aeruginosa penicillin- binding protein 3 (PBP3) | x-ray diffraction | A | — | — |
| 6R42 | Structure of R504C mutant of pseudomonas aeruginosa penicillin-binding protein 3 (PBP3) in complex… | x-ray diffraction | A | — | — |
| 6Y6U | Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 6 | x-ray diffraction | A | ODZ | 3 (best 0.48) |
| 6Y6U | Structure of pseudomonas aeruginosa penicillin-binding protein 3 (PBP3) in complex with compound 6 | x-ray diffraction | A | ODZ | — |
| 6Y6Z | Structure of Pseudomonas aeruginosa Penicillin-Binding Protein 3 (PBP3) in complex with Compound 1 | x-ray diffraction | A | OEE | 4 (best 0.61) |
| 6Y6Z | Structure of pseudomonas aeruginosa penicillin-binding protein 3 (PBP3) in complex with compound 1 | x-ray diffraction | A | OEE | — |
| 7ATM | Structure of P. aeruginosa PBP3 in complex with a phenyl boronic acid (compound 1) | x-ray diffraction | A | RY2 | — |
| 7ATO | Structure of P. aeruginosa PBP3 in complex with an aryl boronic acid (compound 2) | x-ray diffraction | A | RXW | — |
| 7ATW | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 3) | x-ray diffraction | A | RZZ | 2 (best 0.55) |
| 7ATW | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (compound 3) | x-ray diffraction | A | RZZ | — |
| 7ATX | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 4) | x-ray diffraction | A | S1B | — |
| 7ATX | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (compound 4) | x-ray diffraction | A | S1B | — |
| 7AU0 | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (compound 7) | x-ray diffraction | A | S0Z | — |
| 7AU1 | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (compound 12) | x-ray diffraction | A | S08 | — |
| 7AU8 | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 13) | x-ray diffraction | A | S0Q | 4 (best 0.56) |
| 7AU8 | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (compound 13) | x-ray diffraction | A | S0Q | — |
| 7AU9 | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (compound 14) | x-ray diffraction | A | S1E | — |
| 7AUB | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 15) | x-ray diffraction | A | S1K | 2 (best 0.53) |
| 7AUB | Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (compound 15) | x-ray diffraction | A | S1K | — |
| 7AUH | Structure of P. aeruginosa PBP3 in complex with vaborbactam | x-ray diffraction | A | 4D6 | 2 (best 0.59) |
| 7AUH | Structure of P. aeruginosa PBP3 in complex with vaborbactam | x-ray diffraction | A | 4D6 | — |
| 7KIT | Crystal structure of pseudomonas aeruginosa PBP3 in complex with wck 4234 | x-ray diffraction | A | C8Y | — |
| 7KIV | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with avibactam | x-ray diffraction | A | — | — |
| 7KIV | Crystal structure of pseudomonas aeruginosa PBP3 in complex with avibactam | x-ray diffraction | A | — | — |
| 7KIW | Crystal structure of Pseudomonas aeruginosa PBP3 in complex with zidebactam | x-ray diffraction | A | C8V | 2 (best 0.58) |
| 7KIW | Crystal structure of pseudomonas aeruginosa PBP3 in complex with zidebactam | x-ray diffraction | A | — | — |
| 7ONK | Crystal structure of PBP3 from P. aeruginosa in complex with AIC499 | x-ray diffraction | A, B | VL5, CL | 8 (best 0.71) |
| 7ONK | Crystal structure of PBP3 from P. aeruginosa in complex with AIC499 | x-ray diffraction | A, B | VL5, CL | — |
| 7ONX | Crystal structure of PBP3 from P. aeruginosa | x-ray diffraction | A | — | 2 (best 0.46) |
| 7ONX | Crystal structure of PBP3 from P. aeruginosa | x-ray diffraction | A | — | — |
| 7ONY | Crystal structure of PBP3 from P. aeruginosa | x-ray diffraction | A | — | 2 (best 0.49) |
| 7ONY | Crystal structure of PBP3 from P. aeruginosa | x-ray diffraction | A | — | — |
| 7ONZ | Crystal structure of PBP3 from P. aeruginosa | x-ray diffraction | A | — | 3 (best 0.54) |
| 7ONZ | Crystal structure of PBP3 from P. aeruginosa | x-ray diffraction | A | — | — |
| 8BH1 | Core divisome complex FtsWIQBL from Pseudomonas aeruginosa | electron microscopy | B | — | 11 (best 0.72) |
| 8P1U | Structure of divisome complex FtsWIQLB | electron microscopy | B | — | 9 (best 0.69) |
| 9FZ7 | Pseudomonas aeruginosa penicillin binding protein 3 in complex with cefiderocol | x-ray diffraction | A | CAZ | 4 (best 0.63) |
| 9FZ8 | Pseudomonas aeruginosa penicillin binding protein 3 | x-ray diffraction | A | — | 3 (best 0.57) |
| 9FZE | Pseudomonas aeruginosa penicillin binding protein 3 in complex with meropenem | x-ray diffraction | A | MER | 2 (best 0.59) |
| 9FZO | Pseudomonas aeruginosa penicillin binding protein 3 in complex with ceftazidime | x-ray diffraction | A | CAZ, SO4 | 3 (best 0.64) |
| 9FZP | Pseudomonas aeruginosa penicillin binding protein 3 in complex with cefepime | x-ray diffraction | A | CEF | 4 (best 0.63) |
| G3XD46 | AlphaFold monomer V2.0 prediction for peptidoglycan D,D-transpeptidase ftsi (G3XD46) | predicted | A | — | — |
Ligands
- NEF · Nitrocefin - open form · in 3 records
- 4D6 · Vaborbactam · in 2 records
- CAZ · Acylated ceftazidime · in 2 records
- CL · Chloride ion · in 2 records
- ODZ · 2-(4-hydroxyphenyl)-~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]ethanamide · in 2 records
- OEE · ~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate · in 2 records
- RZZ · 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid · in 2 records
- S0Q · 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid · in 2 records
- S1B · 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one · in 2 records
- S1K · 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1, 2]oxaborol-3-yl)acetic acid · in 2 records
- VL5 · (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid · in 2 records
- C8V · (2S,5R)-1-formyl-N'-[(3R)-piperidine-3-carbonyl]-5-[(sulfooxy)amino]piperidine-2-carbohydrazide · in 1 record
- C8Y · (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carbonitrile · in 1 record
- CEF · CEFOTAXIME, C3' cleaved, open, bound form · in 1 record
- JPP · Piperacillin (Open Form) · in 1 record
- MER · (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid · in 1 record
- RXW · (5-methyl-1H-indazol-6-yl)boronic acid · in 1 record
- RY2 · (3-(1H-tetrazol-5-yl)phenyl)boronic acid · in 1 record
- S08 · 2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid · in 1 record
- S0Z · Methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1, 2]oxaborole-6-carboxamido)-2-phenylacetate · in 1 record
- S1E · N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1, 2]oxaborole-6-carboxamide · in 1 record
- SO4 · Sulfate ion · in 1 record
Experiment against prediction
- 9FZ8 chain A against the predicted model G3XD46: TM-score 0.99, RMSD 0.58 Å
- 9FZE chain A against the predicted model G3XD46: TM-score 0.99, RMSD 0.59 Å
- 7AU8 chain A against the predicted model G3XD46: TM-score 0.99, RMSD 0.59 Å
- 7AU8 chain A against the predicted model G3XD46: TM-score 0.99, RMSD 0.59 Å
- 7AUH chain A against the predicted model G3XD46: TM-score 0.99, RMSD 0.63 Å
- 7AUH chain A against the predicted model G3XD46: TM-score 0.99, RMSD 0.63 Å
- 7AU9 chain A against the predicted model G3XD46: TM-score 0.99, RMSD 0.70 Å
- 7AU0 chain A against the predicted model G3XD46: TM-score 0.99, RMSD 0.70 Å
- 6R3X chain A against the predicted model G3XD46: TM-score 0.99, RMSD 0.80 Å
- 7AUB chain A against the predicted model G3XD46: TM-score 0.99, RMSD 0.74 Å
Elsewhere
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