MolNFT v1 · #98219 · protein
Understanding extradiol dioxygenase mechanism in NAD+ biosynthesis by viewing catalytic intermediates - ligand-free structure
4L2N · 3-hydroxyanthranilate 3,4-dioxygenase: “Understanding extradiol dioxygenase mechanism in NAD+ biosynthesis by viewing catalytic intermediates…”. X-ray diffraction, 2 ligands (FE2, CL), 2 pockets (best druggability 0.74). MolNFT v1…
- PDB
- 4L2N
- Type
- protein
- Length
- 174 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
- FE2, CL
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 15% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-hydroxyanthranilate 3,4-dioxygenase (EC 1.13.11.6) | protein | 174 | 15% helix, 37% strand | Q1LCS4 |
Ligands and binding sites
- FE2 · Fe (II) ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · 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 | 489 | 0.74 | 0.83 | 47 | FE2, CL |
| 2 | 51 | 0.25 | 0.73 | 17 | empty |
Compared structures
- 4L2N · Understanding Extradiol Dioxygenase Mechanism in NAD+ Biosynthesis by Viewing Catalytic… · 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 4L2N · PDBe 4L2N · UniProt Q1LCS4
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