UniProt C7C422
Metallo-beta-lactamase type 2 (C7C422)
Metallo-beta-lactamase type 2 (UniProt C7C422), EC 3.5.2.6: 146 experimental structures and 1 predicted model on GenesisL1, 55 ligands bound, 31 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- C7C422
- Protein
- Metallo-beta-lactamase type 2
- EC
- 3.5.2.6
- Experimental structures
- 146
- Predicted models
- 1
- Ligands
- 55
- Pockets
- 31 · 8 records with a druggable one
Structures
147 records of C7C422 in the MolNFT archive: 146 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3PG4 | The crystal structure of New Delhi Metallo-beta lactamase (NDM-1) | x-ray diffraction | A | — | — |
| 3PG4 | The crystal structure of new delhi metallo-beta lactamase (ndm-1) | x-ray diffraction | A | — | — |
| 3RKJ | Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 from Klebsiella pnueumoniae | x-ray diffraction | A, B | — | — |
| 3RKJ | Crystal structure of new delhi metallo-beta-lactamase-1 from klebsiella pnueumoniae | x-ray diffraction | A, B | — | — |
| 3RKK | Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 from Klebsiella pneumoniae | x-ray diffraction | A, B | — | — |
| 3RKK | Crystal structure of new delhi metallo-beta-lactamase-1 from klebsiella pneumoniae | x-ray diffraction | A, B | — | — |
| 3SBL | Crystal Structure of New Delhi Metal-beta-lactamase-1 from Klebsiella pneumoniae | x-ray diffraction | A | — | — |
| 3SBL | Crystal structure of new delhi metal-beta-lactamase-1 from klebsiella pneumoniae | x-ray diffraction | A | — | — |
| 3SFP | Crystal Structure of the Mono-Zinc-boundform of New Delhi Metallo-beta-Lactamase-1 from Klebsiella… | x-ray diffraction | A, B, C, D | — | — |
| 3SFP | Crystal structure of the mono-zinc-boundform of new delhi metallo- beta-lactamase-1 from klebsiella… | x-ray diffraction | A, B, C, D | — | — |
| 3SPU | apo NDM-1 Crystal Structure | x-ray diffraction | A, B, C, D, E | — | — |
| 3SPU | Apo ndm-1 crystal structure | x-ray diffraction | A, B, C, D, E | — | — |
| 3SRX | New Delhi Metallo-beta-Lactamase-1 Complexed with Cd | x-ray diffraction | A, B | — | — |
| 3SRX | New delhi metallo-beta-lactamase-1 complexed with CD | x-ray diffraction | A, B | — | — |
| 3ZR9 | Structure of New Delhi Metallo-Beta-lactamase 1 (NDM-1) | x-ray diffraction | A | — | — |
| 3ZR9 | Structure of new delhi metallo-beta-lactamase 1 (ndm-1) | x-ray diffraction | A | — | — |
| 4EXS | Crystal structure of NDM-1 bound to L-captopril | x-ray diffraction | B, A | — | — |
| 4EXS | Crystal structure of ndm-1 bound to L-captopril | x-ray diffraction | B, A | — | — |
| 4EXY | Crystal structure of NDM-1 bound to ethylene glycol | x-ray diffraction | A, B | — | — |
| 4EXY | Crystal structure of ndm-1 bound to ethylene glycol | x-ray diffraction | A, B | — | — |
| 4EY2 | Crystal structure of NDM-1 bound to hydrolyzed methicillin | x-ray diffraction | A, B | — | — |
| 4EY2 | Crystal structure of ndm-1 bound to hydrolyzed methicillin | x-ray diffraction | A, B | — | — |
| 4EYB | Crystal structure of NDM-1 bound to hydrolyzed oxacillin | x-ray diffraction | A, B | — | — |
| 4EYB | Crystal structure of ndm-1 bound to hydrolyzed oxacillin | x-ray diffraction | A, B | — | — |
| 4EYF | Crystal structure of NDM-1 bound to hydrolyzed benzylpenicillin | x-ray diffraction | A, B | — | — |
| 4EYF | Crystal structure of ndm-1 bound to hydrolyzed benzylpenicillin | x-ray diffraction | A, B | — | — |
| 4EYL | Crystal structure of NDM-1 bound to hydrolyzed meropenem | x-ray diffraction | A, B | — | — |
| 4EYL | Crystal structure of ndm-1 bound to hydrolyzed meropenem | x-ray diffraction | A, B | — | — |
| 4GYQ | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 D223A mutant from Klebsiella pneumoniae | x-ray diffraction | A, B, C, D | — | — |
| 4GYQ | Crystal structure of new delhi metallo-beta-lactamase-1 D223A mutant from klebsiella pneumoniae | x-ray diffraction | A, B, C, D | — | — |
| 4GYU | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 A121F mutant from Klebsiella pneumoniae | x-ray diffraction | A | — | — |
| 4GYU | Crystal structure of new delhi metallo-beta-lactamase-1 A121F mutant from klebsiella pneumoniae | x-ray diffraction | A | — | — |
| 4H0D | New Delhi Metallo-beta-Lactamase-1 Complexed with Mn from Klebsiella pneumoniae | x-ray diffraction | A, B | — | — |
| 4H0D | New delhi metallo-beta-lactamase-1 complexed with mn from klebsiella pneumoniae | x-ray diffraction | A, B | — | — |
| 4HKY | New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Faropenem | x-ray diffraction | A, B | — | — |
| 4HKY | New delhi metallo-beta-lactamase-1, complexed with CD and faropenem | x-ray diffraction | A, B | — | — |
| 4HL1 | Crystal Structure of New Delhi Metallo-beta-Lactamase-1, Complexed with Cd and Ampicillin | x-ray diffraction | A, B | — | — |
| 4HL1 | Crystal structure of new delhi metallo-beta-lactamase-1, complexed with CD and ampicillin | x-ray diffraction | A, B | — | — |
| 4HL2 | New Delhi Metallo-beta-Lactamase-1 1.05 A structure Complexed with Hydrolyzed Ampicillin | x-ray diffraction | A, B | — | — |
| 4HL2 | New delhi metallo-beta-lactamase-1 1.05 a structure complexed with hydrolyzed ampicillin | x-ray diffraction | A, B | — | — |
| 4RAM | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed… | x-ray diffraction | A, B | — | — |
| 4RAM | Crystal structure of new delhi metallo-beta-lactamase-1 mutant M67V complexed with hydrolyzed… | x-ray diffraction | A, B | — | — |
| 4RAW | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed… | x-ray diffraction | A, B | — | — |
| 4RAW | Crystal structure of new delhi metallo-beta-lactamase-1 mutant M67V complexed with hydrolyzed… | x-ray diffraction | A, B | — | — |
| 4RBS | Crystal Structure of New Delhi Metallo-beta-Lactamase-1 in the Complex with Hydrolyzed Meropenem | x-ray diffraction | A, B | — | — |
| 4RBS | Crystal structure of new delhi metallo-beta-lactamase-1 in the complex with hydrolyzed meropenem | x-ray diffraction | A, B | — | — |
| 4RL0 | Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins | x-ray diffraction | A, B | — | — |
| 4RL0 | Structural and mechanistic insights into ndm-1 catalyzed hydrolysis of cephalosporins | x-ray diffraction | A, B | — | — |
| 4RL2 | Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins | x-ray diffraction | A, B | — | — |
| 4RL2 | Structural and mechanistic insights into ndm-1 catalyzed hydrolysis of cephalosporins | x-ray diffraction | A, B | — | — |
| 4RM5 | Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins | x-ray diffraction | A, B, C, D | — | — |
| 4RM5 | Structural and mechanistic insights into ndm-1 catalyzed hydrolysis of cephalosporins | x-ray diffraction | A, B, C, D | — | — |
| 4U4L | Crystal structure of the metallo-beta-lactamase NDM-1 in complex with a bisthiazolidine inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 4U4L | Crystal structure of the metallo-beta-lactamase ndm-1 in complex with a bisthiazolidine inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 5A5Z | Approved Drugs Containing Thiols as Inhibitors of Metallo-beta- lactamases: Strategy To Combat… | x-ray diffraction | A, C | ZN, WJZ | 3 (best 0.78) |
| 5A5Z | Approved drugs containing thiols as inhibitors of metallo-beta- lactamases: strategy to combat… | x-ray diffraction | A, C | — | — |
| 5JQJ | Directed evolutionary changes in MBL super family - NDM-1 Round 10 crystal-1 | x-ray diffraction | A | ZN, MG | — |
| 5JQJ | Directed evolutionary changes in mbl super family - ndm-1 round 10 crystal-1 | x-ray diffraction | A | — | — |
| 5K4M | Directed evolutionary changes in mbl super family - ndm-1 round 10 crystal-3 | x-ray diffraction | A | ZN, MG, SV7, NPO | — |
| 5N0H | Crystal structure of ndm-1 in complex with hydrolyzed meropenem - new refinement | x-ray diffraction | A, B | ZN, SO4 | — |
87 records more on the page itself.
Ligands
- ZN · Zinc ion · in 86 records
- OH · Hydroxide ion · in 18 records
- SO4 · Sulfate ion · in 10 records
- ZZ7 · (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid · in 9 records
- CA · Calcium ion · in 8 records
- CL · Chloride ion · in 5 records
- EEX · (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid · in 4 records
- CD · Cadmium ion · in 3 records
- MG · Magnesium ion · in 3 records
- 7SX · [(5,7-dimethyl-2-oxo-1,2-dihydroquinolin-4-yl) methyl]phosphonic acid · in 2 records
- 9DU · (2R)-2-methyl-N-(phenylmethyl)-3-sulfanyl-propanamide · in 2 records
- BS3 · Bismuth(III) ION · in 2 records
- CO · Cobalt (II) ion · in 2 records
- EEL · (2R)-1-[3-sulfanyl-2-(sulfanylmethyl) propanoyl]pyrrolidine-2-carboxylic acid · in 2 records
- EFF · 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide · in 2 records
- EKX · (1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid · in 2 records
- HCH · (7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl) boranuide · in 2 records
- HCQ · [5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl) boranuide · in 2 records
- M3Q · [(quinolin-8-yl)methyl]phosphonic acid · in 2 records
- N1G · 1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide · in 2 records
- NI · Nickel (II) ion · in 2 records
- O5E · (2R)-2-phenyl-2-(phenylamino)-N-(1H-tetrazol-5-yl) acetamide · in 2 records
- QT2 · (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid · in 2 records
- T6Z · [(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl) methyl]phosphonic acid · in 2 records
- TWB · [(6,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl) methyl]phosphonic acid · in 2 records
- UNL · Unknown ligand · in 2 records
- 60J · 2-azanyl-5-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxylic acid · in 1 record
- 9DC · (2S)-2,3-disulfanylpropan-1-ol · in 1 record
- 9EX · (2S)-2-methyl-3-sulfanyl-propan-1-ol · in 1 record
- AU · Gold ion · in 1 record
Experiment against prediction
- 6D1A chain A against the predicted model C7C422: TM-score 1.00, RMSD 0.24 Å
- 6D1A chain A against the predicted model C7C422: TM-score 1.00, RMSD 0.24 Å
- 6D1B chain A against the predicted model C7C422: TM-score 1.00, RMSD 0.25 Å
- 5ZGI chain A against the predicted model C7C422: TM-score 1.00, RMSD 0.26 Å
- 6D1C chain A against the predicted model C7C422: TM-score 1.00, RMSD 0.27 Å
- 6D1H chain A against the predicted model C7C422: TM-score 1.00, RMSD 0.27 Å
- 6LJ6 chain A against the predicted model C7C422: TM-score 1.00, RMSD 0.27 Å
- 6LJ6 chain A against the predicted model C7C422: TM-score 1.00, RMSD 0.27 Å
- 6D1I chain A against the predicted model C7C422: TM-score 1.00, RMSD 0.28 Å
- 6D1I chain A against the predicted model C7C422: TM-score 1.00, RMSD 0.28 Å
Elsewhere
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