Research workbench
Understanding extradiol dioxygenase mechanism in NAD+ biosynthesis by viewing catalytic intermediates - 2,3-cis-4,5-trans acms bound to I142A mutant hao
Analyse Understanding extradiol dioxygenase mechanism in NAD+ biosynthesis by viewing… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WZC
- 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
- 1UC, FE2
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3-hydroxyanthranilate 3,4-dioxygenase (EC 1.13.11.6) | protein | 174 | 13% helix, 37% strand | Q1LCS4 |
Ligands and binding sites
- 1UC · (2E)-2-amino-3-[(1E)-3-oxoprop-1-en-1-yl]but-2-enedioic acid · ligand · chains A
- FE2 · Fe (II) ion · metal · 2 copies · 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 | 506 | 0.73 | 0.82 | 47 | 1UC |
| 2 | 65 | 0.30 | 0.74 | 18 | empty |
Compared structures
- 4WZC · 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 0.99
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 4WZC · PDBe 4WZC · UniProt Q1LCS4
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