UniProt Q1LCS4
3-hydroxyanthranilate 3,4-dioxygenase (Q1LCS4)
3-hydroxyanthranilate 3,4-dioxygenase (UniProt Q1LCS4), EC 1.13.11.6: 44 experimental structures and 1 predicted model on GenesisL1, 10 ligands bound, 5 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q1LCS4
- Protein
- 3-hydroxyanthranilate 3,4-dioxygenase
- EC
- 1.13.11.6
- Experimental structures
- 44
- Predicted models
- 1
- Ligands
- 10
- Pockets
- 5 · 3 records with a druggable one
Structures
45 records of Q1LCS4 in the MolNFT archive: 44 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4HSJ | 1.88 angstrom x-ray crystal structure of piconlinic-bound 3-hydroxyanthranilate-3,4-dioxygenase | x-ray diffraction | A | — | — |
| 4HSJ | 1.88 ångström X-ray crystal structure of piconlinic-bound 3- hydroxyanthranilate-3,4-dioxygenase | x-ray diffraction | A | — | — |
| 4HSL | 2.00 angstrom x-ray crystal structure of substrate-bound E110A… | x-ray diffraction | A | — | — |
| 4HSL | 2.00 ångström X-ray crystal structure of substrate-bound E110A 3… | x-ray diffraction | A | — | — |
| 4HVO | 1.75 angstrom x-ray crystal structure of cufe reconstituted 3-hydroxyanthranilate-3,4-dioxygenase… | x-ray diffraction | A | — | — |
| 4HVO | 1.75 ångström X-ray crystal structure of cufe reconstituted 3- hydroxyanthranilate-3,4-dioxygenase… | x-ray diffraction | A | — | — |
| 4HVQ | X-ray crystal structure of FECU reconstituted 3-hydroxyanthranilate-3,4-dioxygenase from… | x-ray diffraction | A | — | — |
| 4HVQ | X-ray crystal structure of fecu reconstituted 3-hydroxyanthranilate-3, 4-dioxygenase from… | x-ray diffraction | A | — | — |
| 4HVR | X-ray crystal structure of salicylic acid bound 3-hydroxyanthranilate-3,4-dioxygenase from… | x-ray diffraction | A | — | — |
| 4HVR | X-ray crystal structure of salicylic acid bound 3-hydroxyanthranilate- 3,4-dioxygenase from… | x-ray diffraction | A | — | — |
| 4I3P | 1.96 angstrom x-ray crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase bound with… | x-ray diffraction | A | — | — |
| 4I3P | 1.96 ångström X-ray crystal structure of 3-hydroxyanthranilate-3,4- dioxygenase bound with… | x-ray diffraction | A | — | — |
| 4L2N | Understanding Extradiol Dioxygenase Mechanism in NAD+ Biosynthesis by Viewing Catalytic… | x-ray diffraction | A | — | — |
| 4L2N | Understanding extradiol dioxygenase mechanism in NAD+ biosynthesis by viewing catalytic… | x-ray diffraction | A | — | — |
| 4R52 | 1.5 angstrom crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus… | x-ray diffraction | A | — | — |
| 4R52 | 1.5 ångström crystal structure of 3-hydroxyanthranilate-3,4- dioxygenase from cupriavidus… | x-ray diffraction | A | — | — |
| 4WZC | Understanding Extradiol Dioxygenase Mechanism in NAD+ Biosynthesis by Viewing Catalytic… | x-ray diffraction | A | — | — |
| 4WZC | Understanding extradiol dioxygenase mechanism in NAD+ biosynthesis by viewing catalytic… | x-ray diffraction | A | — | — |
| 5V26 | 1.78 angstrom crystal structure of P97H 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus… | x-ray diffraction | A, B | FE2 | 2 (best 0.82) |
| 5V26 | 1.78 ångström crystal structure of P97H 3-hydroxyanthranilate-3,4- dioxygenase from cupriavidus… | x-ray diffraction | A, B | FE2 | — |
| 5V27 | 2.35 ångström crystal structure of P97V 3-hydroxyanthranilate-3,4- dioxygenase from cupriavidus… | x-ray diffraction | A | FE2 | — |
| 5V28 | 2.72 angstrom crystal structure of P97A 3-hydroxyanthranilate-3,4-dioxygenase from Cupriavidus… | x-ray diffraction | A | FE2 | — |
| 5V28 | 2.72 ångström crystal structure of P97A 3-hydroxyanthranilate-3,4- dioxygenase from cupriavidus… | x-ray diffraction | A | FE2 | — |
| 6BVP | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase N27A from cupriavidus metallidurans | x-ray diffraction | A | FE2 | — |
| 6BVQ | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase N27A from cupriavidus metallidurans in… | x-ray diffraction | A | FE2, 4AA | — |
| 6BVR | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from Cupriavidus metallidurans | x-ray diffraction | A | FE2 | 2 (best 0.73) |
| 6BVR | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from cupriavidus metallidurans | x-ray diffraction | A | FE2 | — |
| 6BVS | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from cupriavidus metallidurans in… | x-ray diffraction | A | 4AA, FE2 | — |
| 6CD3 | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from Cupriavidus metallidurans in… | x-ray diffraction | A | FE2, 3HA | 1 (best 0.73) |
| 6CD3 | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from cupriavidus metallidurans in… | x-ray diffraction | A | FE2, 3HA | — |
| 6D60 | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from cupriavidus metallidurans | x-ray diffraction | A | FE2 | — |
| 6D61 | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from cupriavidus metallidurans in… | x-ray diffraction | A | FE2, 4AA | — |
| 6D62 | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from cupriavidus metallidurans in… | x-ray diffraction | A | FE2, 3HA | — |
| 6VI5 | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a resting state… | x-ray diffraction | A | FE2, CL | — |
| 6VI5 | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a resting state… | x-ray diffraction | A | FE2, CL | — |
| 6VI6 | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a substrate… | x-ray diffraction | A | FE2, 3HA | — |
| 6VI6 | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a substrate… | x-ray diffraction | A | FE2, 3HA | — |
| 6VI7 | Probing extradiol dioxygenase mechanism in NAD(+) biosynthesis by viewing reaction cycle… | x-ray diffraction | A | 3HA, FE2 | — |
| 6VI8 | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a superoxo bound… | x-ray diffraction | A | FE, FE2, O, 3HA | — |
| 6VI9 | Observing a ring-cleaving dioxygenase in action through a crystalline lens - an alkylperoxo bound… | x-ray diffraction | A | FE2, QXM | — |
| 6VIA | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a seven-membered… | x-ray diffraction | A | FE2, FE, OH, EAY | — |
| 6VIA | Observing a ring-cleaving dioxygenase in action through a crystalline lens - a seven-membered… | x-ray diffraction | A | FE2, FE, OH, EAY | — |
| 6VIB | Observing a ring-cleaving dioxygenase in action through a crystalline lens - enol tautomers of acms… | x-ray diffraction | A | FE2, 2FO | — |
| 6X11 | Observing a ring-cleaving dioxygenase in action through a crystalline lens - an enol tautomer of… | x-ray diffraction | A | FE2, 2FO | — |
| Q1LCS4 | AlphaFold monomer V2.0 prediction for 3-hydroxyanthranilate 3,4-dioxygenase (Q1LCS4) | predicted | A | — | — |
Ligands
- FE2 · Fe (II) ion · in 26 records
- 3HA · 3-hydroxyanthranilic acid · in 7 records
- 4AA · 4-chloro-3-hydroxyanthranilic acid · in 3 records
- FE · Fe (III) ion · in 3 records
- 2FO · (2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid · in 2 records
- CL · Chloride ion · in 2 records
- EAY · (2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid · in 2 records
- OH · Hydroxide ion · in 2 records
- O · Oxygen atom · in 1 record
- QXM · (5R,6Z)-5-(hydroperoxy-kappao)-5-(hydroxy-kappao)-6-iminocyclohexa-1,3-diene-1-carboxylato(2-)iron · in 1 record
Experiment against prediction
- 6CD3 chain A against the predicted model Q1LCS4: TM-score 1.00, RMSD 0.28 Å
- 6CD3 chain A against the predicted model Q1LCS4: TM-score 1.00, RMSD 0.28 Å
- 6BVQ chain A against the predicted model Q1LCS4: TM-score 1.00, RMSD 0.29 Å
- 6D62 chain A against the predicted model Q1LCS4: TM-score 1.00, RMSD 0.33 Å
- 4L2N chain A against the predicted model Q1LCS4: TM-score 1.00, RMSD 0.33 Å
- 4L2N chain A against the predicted model Q1LCS4: TM-score 1.00, RMSD 0.33 Å
- 6D60 chain A against the predicted model Q1LCS4: TM-score 1.00, RMSD 0.34 Å
- 6BVS chain A against the predicted model Q1LCS4: TM-score 1.00, RMSD 0.33 Å
- 6BVP chain A against the predicted model Q1LCS4: TM-score 1.00, RMSD 0.33 Å
- 4R52 chain A against the predicted model Q1LCS4: TM-score 1.00, RMSD 0.34 Å
Elsewhere
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