UniProt P52700
Metallo-beta-lactamase L1 (P52700)
Metallo-beta-lactamase L1 (UniProt P52700), EC 3.5.2.6: 51 experimental structures and 1 predicted model on GenesisL1, 17 ligands bound, 15 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P52700
- Protein
- Metallo-beta-lactamase L1
- EC
- 3.5.2.6
- Experimental structures
- 51
- Predicted models
- 1
- Ligands
- 17
- Pockets
- 15 · 2 records with a druggable one
Structures
52 records of P52700 in the MolNFT archive: 51 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1SML | Metallo beta lactamase L1 from stenotrophomonas maltophilia | x-ray diffraction | A | — | — |
| 1SML | Metallo beta lactamase L1 from stenotrophomonas maltophilia | x-ray diffraction | A | — | — |
| 2AIO | Metallo beta lactamase L1 from Stenotrophomonas maltophilia complexed with hydrolyzed moxalactam | x-ray diffraction | A | — | — |
| 2AIO | Metallo beta lactamase L1 from stenotrophomonas maltophilia complexed with hydrolyzed moxalactam | x-ray diffraction | A | — | — |
| 2FM6 | Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (native form) | x-ray diffraction | A, B | — | — |
| 2FM6 | Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (native form) | x-ray diffraction | A, B | — | — |
| 2FU6 | Zinc-beta-lactamase l1 from stenotrophomonas maltophilia (apo form) | x-ray diffraction | A, B | — | — |
| 2FU6 | Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (apo form) | x-ray diffraction | A, B | — | — |
| 2FU7 | Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (Cu-substituted form) | x-ray diffraction | A, B | — | — |
| 2FU7 | Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (cu- substituted form) | x-ray diffraction | A, B | — | — |
| 2FU8 | Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (d-captopril complex) | x-ray diffraction | A, B | — | — |
| 2FU8 | Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (D-captopril complex) | x-ray diffraction | A, B | — | — |
| 2FU9 | Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (mp2 inhibitor complex) | x-ray diffraction | A, B | — | — |
| 2FU9 | Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (MP2 inhibitor complex) | x-ray diffraction | A, B | — | — |
| 2GFJ | Crystal structure of the zinc-beta-lactamase L1 from stenotrophomonas maltophilia (inhibitor 1) | x-ray diffraction | A, B | — | — |
| 2GFJ | Crystal structure of the zinc-beta-lactamase L1 from stenotrophomonas maltophilia (inhibitor 1) | x-ray diffraction | A, B | — | — |
| 2GFK | Crystal structure of the zinc-beta-lactamase l1 from stenotrophomonas maltophilia (inhibitor 2) | x-ray diffraction | A, B | — | — |
| 2GFK | Crystal structure of the zinc-beta-lactamase L1 from stenotrophomonas maltophilia (inhibitor 2) | x-ray diffraction | A, B | — | — |
| 2H6A | Crystal structure of the zinc-beta-lactamase L1 from Stenotrophomonas maltophilia (mono zinc form) | x-ray diffraction | A, B | — | — |
| 2H6A | Crystal structure of the zinc-beta-lactamase L1 from stenotrophomonas maltophilia (mono zinc form) | x-ray diffraction | A, B | — | — |
| 2HB9 | Crystal Structure of the Zinc-Beta-Lactamase L1 from Stenotrophomonas Maltophilia (Inhibitor 3) | x-ray diffraction | A | — | — |
| 2HB9 | Crystal structure of the zinc-beta-lactamase L1 from stenotrophomonas maltophilia (inhibitor 3) | x-ray diffraction | A | — | — |
| 2QDT | Structural Basis for the Broad-Spectrum Inhibition of Metallo-{Beta}-Lactamases: L1- IS38 Complex | x-ray diffraction | A | — | — |
| 2QDT | Structural basis for the broad-spectrum inhibition of metallo-{beta}- lactamases: L1- IS38 complex | x-ray diffraction | A | — | — |
| 2QIN | Stenotrophomonas maltophilia L1 Metallo-beta-Lactamase Asp-120 Cys mutant | x-ray diffraction | A, B, C, D | — | — |
| 2QIN | Stenotrophomonas maltophilia L1 metallo-beta-lactamase asp-120 cys mutant | x-ray diffraction | A, B, C, D | — | — |
| 2QJS | Stenotrophomonas maltophilia L1 metallo-beta-lactamase Asp-120 Asn mutant | x-ray diffraction | A, B, C, D | — | — |
| 2QJS | Stenotrophomonas maltophilia L1 metallo-beta-lactamase asp-120 asn mutant | x-ray diffraction | A, B, C, D | — | — |
| 5DPX | 1,2,4-Triazole-3-thione compounds as inhibitors of L1, di-zinc metallo-beta-lactamases. | x-ray diffraction | A, B | ZN, L3B, SO4 | — |
| 5DPX | 1,2,4-triazole-3-thione compounds as inhibitors of L1, di-zinc metallo-beta-lactamases. | x-ray diffraction | A, B | — | — |
| 5EVB | Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor… | x-ray diffraction | A | ZN, SO4 | — |
| 5EVB | Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor… | x-ray diffraction | A | — | — |
| 5EVD | Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor… | x-ray diffraction | A | VC2, ZN, SO4 | 2 (best 0.44) |
| 5EVD | Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor… | x-ray diffraction | A | — | — |
| 5EVK | Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor… | x-ray diffraction | A | 3C7, SO4, ZN | — |
| 5EVK | Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor… | x-ray diffraction | A | — | — |
| 5HH5 | Crystal structure of B3 metallo-beta-lactamase L1 complexed with a phosphonate-based inhibitor | x-ray diffraction | A | ZN, SO4, 60M | — |
| 5HH5 | Crystal structure of B3 metallo-beta-lactamase L1 complexed with a phosphonate-based inhibitor | x-ray diffraction | A | — | — |
| 5HH6 | Crystal structure of B3 metallo-beta-lactamase L1 in complex with a phosphonate-based inhibitor | x-ray diffraction | A | ZN, 60N, SO4 | — |
| 5HH6 | Crystal structure of B3 metallo-beta-lactamase L1 in complex with a phosphonate-based inhibitor | x-ray diffraction | A | — | — |
| 7A63 | Crystal structure of L1 with hydrolyzed faropenem (imine, ring-closed form) | x-ray diffraction | A | ZN, SO4, R3N | 2 (best 0.42) |
| 7A63 | Crystal structure of L1 with hydrolyzed faropenem (imine, ring-closed form) | x-ray diffraction | A | ZN, SO4, R3N | — |
| 7AFZ | L1 metallo-b-lactamase with compound EBL-1306 | x-ray diffraction | A | ZN, RBW, SO4 | 1 (best 0.53) |
| 7AFZ | L1 metallo-B-lactamase with compound ebl-1306 | x-ray diffraction | A | ZN, RBW, SO4 | — |
| 7BJ8 | Structure of L1 with 2-mercaptomethyl-thiazolidine D-syn-1B | x-ray diffraction | A | QST, ZN, SO4 | — |
| 7O0O | Crystal structure of the B3 metallo-beta-lactamase L1 with hydrolysed ertapenem | x-ray diffraction | A | ZN, 9XS, SO4 | 2 (best 0.45) |
| 7O0O | Crystal structure of the B3 metallo-beta-lactamase L1 with hydrolysed ertapenem | x-ray diffraction | A | ZN, 9XS, SO4 | — |
| 7ZO2 | L1 metallo-beta-lactamase complex with hydrolysed doripenem | x-ray diffraction | A | ZN, SO4, DQM, CL | 1 (best 0.43) |
| 7ZO3 | L1 metallo-beta-lactamase in complex with hydrolysed tebipenem | x-ray diffraction | A | ZN, SO4, JNQ | 2 (best 0.44) |
| 7ZO7 | L1 metallo-beta-lactamase in complex with hydrolysed cefmetazole | x-ray diffraction | A | ZN, SO4, JOU | 1 (best 0.42) |
| 8HXI | Crystal structure of B3 L1 MBL in complex with 2-amino-5-(4-isopropylbenzyl)thiazole-4-carboxylic… | x-ray diffraction | A, B | ZN, 5A5, SCN | 4 (best 0.77) |
| P52700 | AlphaFold monomer V2.0 prediction for metallo-beta-lactamase L1 type 3 (P52700) | predicted | A | — | — |
Ligands
- ZN · Zinc ion · in 17 records
- SO4 · Sulfate ion · in 16 records
- 9XS · (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid · in 2 records
- R3N · (2R,5S)-2-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydrothiazole-4-carboxylic acid · in 2 records
- RBW · 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid · in 2 records
- 3C7 · (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid · in 1 record
- 5A5 · 2-azanyl-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-4-carboxylic acid · in 1 record
- 60M · 6-(phosphonomethyl)pyridine-2-carboxylic acid · in 1 record
- 60N · 6-[(~{S})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid · in 1 record
- CL · Chloride ion · in 1 record
- DQM · (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid · in 1 record
- JNQ · (2S,3R,4S)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid · in 1 record
- JOU · (2R,5R)-2-[(1S)-1-[2-(cyanomethylsulfanyl)ethanoylamino]-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid · in 1 record
- L3B · 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione · in 1 record
- QST · (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid · in 1 record
- SCN · Thiocyanate ion · in 1 record
- VC2 · (3S,5S,7aR)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid · in 1 record
Experiment against prediction
- 7BJ8 chain A against the predicted model P52700: TM-score 1.00, RMSD 0.25 Å
- 5EVK chain A against the predicted model P52700: TM-score 1.00, RMSD 0.26 Å
- 5EVK chain A against the predicted model P52700: TM-score 1.00, RMSD 0.26 Å
- 7ZO7 chain A against the predicted model P52700: TM-score 1.00, RMSD 0.27 Å
- 7A63 chain A against the predicted model P52700: TM-score 1.00, RMSD 0.27 Å
- 7A63 chain A against the predicted model P52700: TM-score 1.00, RMSD 0.27 Å
- 2FU8 chain B against the predicted model P52700: TM-score 1.00, RMSD 0.27 Å
- 2FU8 chain B against the predicted model P52700: TM-score 1.00, RMSD 0.27 Å
- 7AFZ chain A against the predicted model P52700: TM-score 1.00, RMSD 0.27 Å
- 7AFZ chain A against the predicted model P52700: TM-score 1.00, RMSD 0.27 Å
Elsewhere
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