MolNFT v1 · #6081 · protein
Anaerobic substrate complex of homoprotocatechuate 2,3-dioxygenase from arthrobacter globiformis. (complex with 3,4- dihydroxyphenylacetate)
1F1V: “Anaerobic substrate complex of homoprotocatechuate 2,3-dioxygenase from arthrobacter globiformis. (complex…”. X-ray diffraction, 2 ligands (DHY, MN), 3 pockets (best druggability 0.86). MolNFT v1 #6081 on GenesisL1: 3D structure…
- PDB
- 1F1V
- Type
- protein
- Length
- 640 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Homoprotocatechuate 2,3-dioxygenase
- EC
- 1.13.11.15
- UniProt
- Q44048
- Ligands
- DHY, MN
- Pockets
- 3 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Homoprotocatechuate 2,3-dioxygenase (EC 1.13.11.15) | protein | 320 | 17% helix, 38% strand | Q44048 |
Ligands and binding sites
- DHY · 2-(3,4-dihydroxyphenyl)acetic acid · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 389 | 0.86 | 0.95 | 44 | empty |
| 2 | 254 | 0.56 | 0.78 | 26 | empty |
| 3 | 60 | 0.32 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1660 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 1F1V · Anaerobic substrate complex of homoprotocatechuate 2,3-dioxygenase from arthrobacter… · the same entry in another collection · 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 Q44048
- Elsewhere: RCSB PDB 1F1V · PDBe 1F1V · UniProt Q44048
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