UniProt Q3JNW6
Catalase-peroxidase (Q3JNW6)
Catalase-peroxidase (UniProt Q3JNW6), EC 1.11.1.21: 69 experimental structures and 1 predicted model on GenesisL1, 12 ligands bound, 100 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q3JNW6
- Protein
- Catalase-peroxidase
- EC
- 1.11.1.21
- Experimental structures
- 69
- Predicted models
- 1
- Ligands
- 12
- Pockets
- 100 · 5 records with a druggable one
Structures
70 records of Q3JNW6 in the MolNFT archive: 69 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5KQ0 | Crystal structure of the A290D variant of catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5KQ0 | Crystal structure of the A290D variant of catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5KQ2 | Crystal structure of the A357D variant of catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | 20 (best 0.84) |
| 5KQ2 | Crystal structure of the A357D variant of catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5KQ3 | Crystal structure of the D141A/Q233E variant of catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5KQ3 | Crystal structure of the D141A/Q233E variant of catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5KQ6 | Crystal structure of the A359D variant of catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5KQ6 | Crystal structure of the A359D variant of catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5KQH | Crystal structure of the V293D variant of catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5KQH | Crystal structure of the V293D variant of catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5KQI | Crystal structure of the L326D variant of catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5KQI | Crystal structure of the L326D variant of catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5KQK | Crystal structure of the Q233E/N240D variant of the catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, CL, OXY | — |
| 5KQK | Crystal structure of the Q233E/N240D variant of the catalase- peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, CL, OXY | — |
| 5KQN | Crystal structure of the H381S variant of catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, OXY | — |
| 5KQN | Crystal structure of the H381S variant of catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, OXY | — |
| 5KQQ | Crystal structure of the W153F variant of catalase-peroxidase from B. pseudomallei treated | x-ray diffraction | A, B | HEM, NA, OXY, PO4 | — |
| 5KQQ | Crystal structure of the W153F variant of catalase-peroxidase from B. pseudomallei treated | x-ray diffraction | A, B | HEM, NA, OXY, PO4 | — |
| 5KSF | Crystal structure of the D141A variant of the catalase-peroxidase from B. pseudomallei treated with… | x-ray diffraction | A, B | HEM, NA, CL, OXY | — |
| 5KSF | Crystal structure of the D141A variant of the catalase-peroxidase from B. pseudomallei treated with… | x-ray diffraction | A, B | HEM, NA, CL, OXY | — |
| 5KSG | Crystal structure of the W153F variant of catalase-peroxidase from B. pseudomallei treated with… | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4, NIZ | — |
| 5KSG | Crystal structure of the W153F variant of catalase-peroxidase from B. pseudomallei treated with… | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4, NIZ | — |
| 5KSK | Crystal structure of the catalase-peroxidase from B. pseudomallei treated with acetate | x-ray diffraction | A, B | HEM, NA, CL, OXY | — |
| 5KSK | Crystal structure of the catalase-peroxidase from B. pseudomallei treated with acetate | x-ray diffraction | A, B | HEM, NA, CL, OXY | — |
| 5KSN | Crystal structure of the S324G variant of catalase-peroxidase from B. pseudomallei with inh bound | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4, NIZ | — |
| 5KT8 | Crystal structure of the W139F variant of the catalase-peroxidase from B. pseudomallei treated with… | x-ray diffraction | A, B | HEM, NA, CL, OXY, NIZ | — |
| 5KT8 | Crystal structure of the W139F variant of the catalase-peroxidase from B. pseudomallei treated with… | x-ray diffraction | A, B | HEM, NA, CL, OXY, NIZ | — |
| 5KT9 | Crystal structure of the catalase-peroxidase from B. pseudomallei treated with hydrogen peroxide… | x-ray diffraction | A, B | HEM, NA, CL, OXY | — |
| 5L02 | S324T variant of B. pseudomallei KatG | x-ray diffraction | A, B | HEM, NA, PO4 | — |
| 5L02 | S324T variant of B. pseudomallei katg | x-ray diffraction | A, B | HEM, NA, PO4 | — |
| 5L05 | Crystal structure of catalase-peroxidase KATG of burkholderia pseudomallei treated with INH | x-ray diffraction | A, B | HP5, NA, OXY | 20 (best 0.85) |
| 5L05 | Crystal structure of catalase-peroxidase katg of burkholderia pseudomallei treated with inh | x-ray diffraction | A, B | HP5, NA, OXY | — |
| 5SW4 | Crystal structure of native catalase-peroxidase katg at PH8.0 | x-ray diffraction | A, B | HEM, NA, OXY, PO4 | — |
| 5SW5 | Crystal structure of native catalase-peroxidase katg at PH7.5 | x-ray diffraction | A, B | HEM, NA, OXY, PO4 | — |
| 5SW6 | Crystal structure of an oxoferryl species of catalase-peroxidase katg at PH5.6 | x-ray diffraction | A, B | HEM, NA, OXY, PO4, O | — |
| 5SX0 | Crystal structure of an oxoferryl species of catalase-peroxidase KatG at pH7.5 | x-ray diffraction | A, B | HEM, NA, OXY, O | 20 (best 0.85) |
| 5SX0 | Crystal structure of an oxoferryl species of catalase-peroxidase katg at PH7.5 | x-ray diffraction | A, B | HEM, NA, OXY, O | — |
| 5SX1 | Crystal structure of D141E variant of B. pseudomallei katg | x-ray diffraction | A, B | HEM, NA, OXY, PO4 | — |
| 5SX2 | Crystal structure of the D141E mutant of B. pseudomallei katg at pH 8.0. | x-ray diffraction | A, B | HEM, NA, OXY, PO4 | — |
| 5SX3 | Crystal structure of the catalase-peroxidase katg of B. pseudomaallei at pH 4.5 | x-ray diffraction | A, B | HEM, NA, CL, OXY | — |
| 5SX6 | Crystal structure of the catalase-peroxidase katg of B. pseudomallei at pH 6.5 | x-ray diffraction | A, B | HEM, NA, OXY | — |
| 5SX7 | Crystal structure of catalase-peroxidase KatG of B. pseudomallei at pH 8.5 | x-ray diffraction | A, B | HEM, NA, OXY | 20 (best 0.84) |
| 5SX7 | Crystal structure of catalase-peroxidase katg of B. pseudomallei at pH 8.5 | x-ray diffraction | A, B | HEM, NA, OXY | — |
| 5SXQ | Crystal structure of B. pseudomallei katg with isonicotinic acid hydrazide bound | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4, NIZ | — |
| 5SXR | Crystal structure of B. pseudomallei katg with NAD bound | x-ray diffraction | A, B | HEM, NA, CL, OXY, ADP | — |
| 5SXS | Crystal structure of catalase-peroxidase katg with isonicotinic acid hydrazide and AMP bound | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4, NIZ | — |
| 5SXT | Crystal structure of the S324T variant of burkholderia pseudomallei katg with isonicotinic acid… | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4, NIZ | — |
| 5SXW | Crystal structure of the E198A variant of catalase-peroxidase katg of burkholderia pseudomallei | x-ray diffraction | A, B | HEM, NA, OXY, PO4 | — |
| 5SXX | Crystal structure of the E198A variant of burkholderia pseudomallei catalase-peroxidase katg with… | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5SYH | Structure of D141A variant of B. pseudomallei katg | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5SYI | Structure of D141A variant of B. pseudomallei katg complexed with inh | x-ray diffraction | A, B | HEM, NA, CL, OXY, NIZ, PO4 | — |
| 5SYJ | Crystal structure of the D141A variant of B. pseudomallei katgin complex with isoniazid | x-ray diffraction | A, B | HEM, NA, CL, PO4, NIZ | — |
| 5SYK | Crystal structure of B. pseudomallei katg treated with hydrogen peroxide | x-ray diffraction | A, B | HEM, NA, CL, OXY | — |
| 5SYL | B. pseudomallei katg with kcn bound | x-ray diffraction | A, B | NA, CL, HEM, CYN, PO4 | — |
| 5SYU | Crystal structure of burkholderia pseudomallei katg E242Q variant | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5SYV | Crystal structure of burkholderia pseudomallei katg N240D variant | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5SYW | Crystal structure of burkhoderia pseudomallei katg variant Q233E | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5SYX | Crystal structure of burkholderia pseudomallei katg variant W139F | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5SYY | Crystal structure of the S324G variant of catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, CL, OXY, PO4 | — |
| 5TXQ | Crystal structure of the A143D variant of catalase-peroxidase from B. pseudomallei | x-ray diffraction | A, B | HEM, NA, OXY, PO4 | — |
10 records more on the page itself.
Ligands
- NA · Sodium ion · in 69 records
- HEM · Protoporphyrin IX containing Fe · in 67 records
- OXY · Oxygen molecule · in 65 records
- PO4 · Phosphate ion · in 48 records
- CL · Chloride ion · in 45 records
- NIZ · pyridine-4-carbohydrazide · in 11 records
- O · Oxygen atom · in 3 records
- GLC · alpha-D-glucopyranose · in 2 records
- HP5 · Peroxidized heme form 2 · in 2 records
- ADP · Adenosine-5'-diphosphate · in 1 record
- AMP · Adenosine monophosphate · in 1 record
- CYN · Cyanide ion · in 1 record
Experiment against prediction
- 6CC6 chain A against the predicted model Q3JNW6: TM-score 1.00, RMSD 0.19 Å
- 5SXW chain A against the predicted model Q3JNW6: TM-score 1.00, RMSD 0.19 Å
- 5KQ6 chain A against the predicted model Q3JNW6: TM-score 1.00, RMSD 0.19 Å
- 5KQ6 chain A against the predicted model Q3JNW6: TM-score 1.00, RMSD 0.19 Å
- 5SXR chain A against the predicted model Q3JNW6: TM-score 1.00, RMSD 0.19 Å
- 5SYI chain A against the predicted model Q3JNW6: TM-score 1.00, RMSD 0.20 Å
- 5SW5 chain A against the predicted model Q3JNW6: TM-score 1.00, RMSD 0.20 Å
- 5KSF chain A against the predicted model Q3JNW6: TM-score 1.00, RMSD 0.20 Å
- 5KSF chain A against the predicted model Q3JNW6: TM-score 1.00, RMSD 0.20 Å
- 5SYK chain A against the predicted model Q3JNW6: TM-score 1.00, RMSD 0.20 Å
Elsewhere
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