MolNFT v1 · #144507 · protein
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from cupriavidus metallidurans in complex with 4-cl-3-haa
6BVS · 3-hydroxyanthranilate 3,4-dioxygenase: “Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from cupriavidus metallidurans in complex…”. X-ray diffraction, 2 ligands (4AA, FE2), 2 pockets (best druggability 0.74).…
- PDB
- 6BVS
- Type
- protein
- Length
- 173 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-hydroxyanthranilate 3,4-dioxygenase
- EC
- 1.13.11.6
- UniProt
- Q1LCS4
- Ligands
- 4AA, FE2
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 16% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-hydroxyanthranilate 3,4-dioxygenase (EC 1.13.11.6) | protein | 173 | 16% helix, 38% strand | Q1LCS4 |
Ligands and binding sites
- 4AA · 4-chloro-3-hydroxyanthranilic acid · ligand · chains A
- FE2 · Fe (II) ion · metal · 2 copies · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 406 | 0.74 | 0.84 | 44 | 4AA, FE2 |
| 2 | 54 | 0.31 | 0.77 | 12 | empty |
Compared structures
- 6BVS · Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142A from Cupriavidus… · the same entry in another collection · chain A against A, TM-score 1.00
- Q1LCS4 · AlphaFold monomer V2.0 prediction for 3-hydroxyanthranilate 3,4-dioxygenase (Q1LCS4) · a predicted model of the same protein · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q1LCS4
- Elsewhere: RCSB PDB 6BVS · PDBe 6BVS · UniProt Q1LCS4
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.