UniProt E9NWK5
Metallo beta lactamase NDM-1 (E9NWK5)
Metallo beta lactamase NDM-1 (UniProt E9NWK5): 28 experimental structures on GenesisL1, 19 ligands bound, 56 pockets. Binding sites, pockets, druggability and 3D structures in GL1X.
- UniProt
- E9NWK5
- Protein
- Metallo beta lactamase NDM-1
- Experimental structures
- 28
- Predicted models
- 0
- Ligands
- 19
- Pockets
- 56 · 13 records with a druggable one
Structures
28 records of E9NWK5 in the MolNFT archive: 28 experimental, 0 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6NY7 | Crystal Structure of NDM-1 D199N with Compound 16 | x-ray diffraction | A | ZN, L8J | — |
| 6NY7 | Crystal structure of ndm-1 D199N with compound 16 | x-ray diffraction | A | ZN, L8J | — |
| 6O3R | Crystal Structure of NDM-1 D199N with Compound 7 | x-ray diffraction | A | ZN, XJE | — |
| 6O3R | Crystal structure of ndm-1 D199N with compound 7 | x-ray diffraction | A | ZN, XJE | — |
| 6TT8 | Haddock model of NDM-1/morin complex | solution nmr | A | ZN, MRI | 1 (best 0.43) |
| 6TT8 | Haddock model of ndm-1/MORIN complex | solution nmr | A | ZN, MRI | — |
| 6TTA | Haddock model of NDM-1/quercetin complex | solution nmr | A | ZN, QUE | 1 (best 0.32) |
| 6TTA | Haddock model of ndm-1/QUERCETIN complex | solution nmr | A | ZN, QUE | — |
| 6TTC | Haddock model of NDM-1/myricetin complex | solution nmr | A | ZN, MYC | — |
| 6TTC | Haddock model of ndm-1/MYRICETIN complex | solution nmr | A | ZN, MYC | — |
| 6TWT | Crystal structure of N-terminally truncated NDM-1 metallo-beta-lactamase | x-ray diffraction | A, B | ZN, CA, CL | 5 (best 0.78) |
| 6TWT | Crystal structure of N-terminally truncated ndm-1 metallo-beta- lactamase | x-ray diffraction | A, B | ZN, CA, CL | — |
| 6XBE | Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1F | x-ray diffraction | A, B, C, D | ZN | 8 (best 0.78) |
| 6XBE | Structure of ndm-1 in complex with macrocycle inhibitor NDM1I-1F | x-ray diffraction | A, B, C, D | ZN | — |
| 6XBF | Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-1G | x-ray diffraction | A, B, C, D | ZN | 9 (best 0.78) |
| 6XBF | Structure of ndm-1 in complex with macrocycle inhibitor NDM1I-1G | x-ray diffraction | A, B, C, D | ZN | — |
| 6XCI | Structure of NDM-1 in complex with macrocycle inhibitor NDM1i-3D | x-ray diffraction | B, A | ZN, CD | 3 (best 0.79) |
| 6XCI | Structure of ndm-1 in complex with macrocycle inhibitor NDM1I-3D | x-ray diffraction | B, A | ZN, CD | — |
| 7CT2 | New Delhi metallo-beta-lactamase 1 (NDM1) mutant - H116Q | x-ray diffraction | A, B, C, D | — | 6 (best 0.76) |
| 7CT2 | New delhi metallo-beta-lactamase 1 (NDM1) mutant - H116Q | x-ray diffraction | A, B, C, D | — | — |
| 7UOX | NDM1-inhibitor co-structure | x-ray diffraction | A, B | CA, ZN, CD, O0L | 4 (best 0.77) |
| 7UOY | NDM1-inhibitor co-structure | x-ray diffraction | A, B | ZN, CD, O0F | 1 (best 0.79) |
| 7UP1 | NDM1-inhibitor co-structure | x-ray diffraction | A, B | ZN, CD, NZR | 4 (best 0.78) |
| 7UP3 | NDM1-inhibitor co-structure | x-ray diffraction | A, B | CD, ZN, NZ0 | 4 (best 0.79) |
| 8GPC | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed ampicillin | x-ray diffraction | A, B | ZN, ZZ7, NA | 3 (best 0.83) |
| 8GPD | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed penicillin V | x-ray diffraction | A, B | ZN, JXF, K | 2 (best 0.83) |
| 8GPE | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed penicillin G | x-ray diffraction | A, B | ZN, PNK, K | 2 (best 0.83) |
| 8I8F | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed compound 1 | x-ray diffraction | A, B | ZN, OL6 | 3 (best 0.83) |
Ligands
- ZN · Zinc ion · in 26 records
- CD · Cadmium ion · in 6 records
- CA · Calcium ion · in 3 records
- CL · Chloride ion · in 2 records
- K · Potassium ion · in 2 records
- L8J · [(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl) methyl]phosphonic acid · in 2 records
- MRI · 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl) chromen-4-one · in 2 records
- MYC · 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one · in 2 records
- QUE · 3,5,7,3',4'-pentahydroxyflavone · in 2 records
- XJE · [(5-methoxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl) methyl]phosphonic acid · in 2 records
- JXF · (2R,4S)-5,5-dimethyl-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)ethyl]-1,3-thiazolidine-4-carboxylic acid · in 1 record
- NA · Sodium ion · in 1 record
- NZ0 · (3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide · in 1 record
- NZR · (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide · in 1 record
- O0F · (6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide · in 1 record
- O0L · (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol · in 1 record
- OL6 · (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid · in 1 record
- PNK · (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid · in 1 record
- ZZ7 · (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid · in 1 record
Elsewhere
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