UniProt P9WKD3
Beta-lactamase (P9WKD3)
Beta-lactamase (UniProt P9WKD3), EC 3.5.2.6: 29 experimental structures and 1 predicted model on GenesisL1, 5 ligands bound, 18 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P9WKD3
- Protein
- Beta-lactamase
- EC
- 3.5.2.6
- Experimental structures
- 29
- Predicted models
- 1
- Ligands
- 5
- Pockets
- 18 · 3 records with a druggable one
Structures
30 records of P9WKD3 in the MolNFT archive: 29 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4Q8I | Crystal Structure of beta-lactamase from M.tuberculosis covalently complexed with Tebipenem | x-ray diffraction | A | — | — |
| 4Q8I | Crystal structure of beta-lactamase from M.TUBERCULOSIS covalently complexed with tebipenem | x-ray diffraction | A | — | — |
| 4QB8 | Crystal Structure of beta-lactamase from M.tuberculosis forming Michaelis Menten with Tebipenem | x-ray diffraction | A | — | — |
| 4QB8 | Crystal structure of beta-lactamase from M.TUBERCULOSIS forming michaelis menten with tebipenem | x-ray diffraction | A | — | — |
| 4QHC | Structure of M.Tuberculosis Betalactamase (Blac) with inhibitor having novel mechanism | x-ray diffraction | A | — | — |
| 4QHC | Structure of M.TUBERCULOSIS betalactamase (blac) with inhibitor having novel mechanism | x-ray diffraction | A | — | — |
| 4X6T | M.tuberculosis betalactamase complexed with inhibitor EC19 | x-ray diffraction | A | — | — |
| 4X6T | M.TUBERCULOSIS betalactamase complexed with inhibitor EC19 | x-ray diffraction | A | — | — |
| 6B5X | Beta-lactamase, unmixed shards crystal form | x-ray diffraction | A, B, C, D | PO4 | — |
| 6B5Y | Beta-lactamase, mixed with Ceftriaxone, 30ms time point, Shards crystal form | x-ray diffraction | A, B, C, D | PO4, 9F2 | — |
| 6B5Y | Beta-lactamase, mixed with ceftriaxone, 30MS time point, shards crystal form | x-ray diffraction | A, B, C, D | PO4, 9F2 | — |
| 6B68 | Beta-Lactamase, 100ms timepoint, mixed, shards crystal form | x-ray diffraction | A, B, C, D | PO4, 9F2, FZS | 8 (best 0.64) |
| 6B68 | Beta-lactamase, 100MS timepoint, mixed, shards crystal form | x-ray diffraction | A, B, C, D | PO4, 9F2 | — |
| 6B69 | Beta-lactamase, 500MS timepoint, mixed, shards crystal form | x-ray diffraction | A, B, C, D | PO4, 9F2 | — |
| 6B6A | Beta-Lactamase, 2secs timepoint, mixed, shards crystal form | x-ray diffraction | A, B, C, D | PO4, 9F2 | — |
| 6B6A | Beta-lactamase, 2SECS timepoint, mixed, shards crystal form | x-ray diffraction | A, B, C, D | PO4, 9F2 | — |
| 6B6B | Beta-Lactamase, unmixed needles crystal form | x-ray diffraction | A | — | 1 (best 0.33) |
| 6B6B | Beta-lactamase, unmixed needles crystal form | x-ray diffraction | A | — | — |
| 6B6C | Beta-lactamase, mixed with ceftriaxone, needles crystal form, 30MS | x-ray diffraction | A | 9F2 | — |
| 6B6D | Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 100ms | x-ray diffraction | A | FZS, 9F2 | 1 (best 0.37) |
| 6B6D | Beta-lactamase, mixed with ceftriaxone, needles crystal form, 100MS | x-ray diffraction | A | 9F2 | — |
| 6B6E | Beta-lactamase, mixed with ceftriaxone, needles crystal form, 500MS | x-ray diffraction | A | 9F2 | — |
| 6B6F | Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 2sec | x-ray diffraction | A | 9F2 | 1 (best 0.39) |
| 6B6F | Beta-lactamase, mixed with ceftriaxone, needles crystal form, 2SEC | x-ray diffraction | A | 9F2 | — |
| 7A74 | Structure of G132N blac from mycobacterium tuberculosis | x-ray diffraction | A | PO4, NA | — |
| 8OE1 | Structure of P167S BlaC from Mycobacterium tuberculosis at pH 5 | x-ray diffraction | A, C | — | 3 (best 0.72) |
| 8OE5 | Structure of P167S BlaC from Mycobacterium tuberculosis at pH 6.3 | x-ray diffraction | A, C | — | 2 (best 0.69) |
| 8RFZ | Structure of E166A BlaC from Mycobacterium tuberculosis at pH 4.5 | x-ray diffraction | A | SO4 | 1 (best 0.38) |
| 8RII | Structure of E166A BlaC from Mycobacterium tuberculosis at pH 6.5 | x-ray diffraction | A | — | 1 (best 0.38) |
| P9WKD3 | AlphaFold monomer V2.0 prediction for beta-lactamase (P9WKD3) | predicted | A | — | — |
Ligands
- 9F2 · Ceftriaxone · in 13 records
- PO4 · Phosphate ion · in 9 records
- FZS · (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid · in 2 records
- NA · Sodium ion · in 1 record
- SO4 · Sulfate ion · in 1 record
Experiment against prediction
- 6B6B chain A against the predicted model P9WKD3: TM-score 1.00, RMSD 0.40 Å
- 6B6B chain A against the predicted model P9WKD3: TM-score 1.00, RMSD 0.40 Å
- 6B6D chain A against the predicted model P9WKD3: TM-score 1.00, RMSD 0.41 Å
- 8RII chain A against the predicted model P9WKD3: TM-score 1.00, RMSD 0.42 Å
- 6B6C chain A against the predicted model P9WKD3: TM-score 1.00, RMSD 0.42 Å
- 6B6F chain A against the predicted model P9WKD3: TM-score 0.99, RMSD 0.43 Å
- 6B6F chain A against the predicted model P9WKD3: TM-score 0.99, RMSD 0.43 Å
- 7A74 chain A against the predicted model P9WKD3: TM-score 0.99, RMSD 0.50 Å
- 4Q8I chain A against the predicted model P9WKD3: TM-score 0.99, RMSD 0.64 Å
- 4Q8I chain A against the predicted model P9WKD3: TM-score 0.99, RMSD 0.64 Å
Elsewhere
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