Research workbench
Structure of protocatechuate 3,4-dioxygenase from pseudomonas aeruginosa at 2.15 ångströms resolution
Analyse Structure of protocatechuate 3,4-dioxygenase from pseudomonas aeruginosa at… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2PCD
- Type
- protein
- Length
- 2,598 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protocatechuate 3,4-dioxygenase (alpha chain); Protocatechuate 3,4-dioxygenase (beta…
- EC
- 1.13.11.3
- UniProt
- P00436, P00437
- Ligands
- FE
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Protocatechuate 3,4-dioxygenase (alpha chain) (EC 1.13.11.3) | protein | 200 | 14% helix, 31% strand | P00436 |
| M, N, O, P, Q, R | Protocatechuate 3,4-dioxygenase (beta chain) (EC 1.13.11.3) | protein | 233 | 9% helix, 30% strand | P00437 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 6 copies · chains M, N, O, P, Q, R
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 748 | 0.82 | 0.85 | 79 | empty |
| 2 | 873 | 0.81 | 0.83 | 85 | empty |
| 3 | 791 | 0.79 | 0.83 | 83 | empty |
| 4 | 642 | 0.79 | 0.84 | 54 | empty |
| 5 | 708 | 0.79 | 0.83 | 70 | empty |
Interfaces
35 interfaces between chains.
- B–N · 3672 Ų buried · 66 hydrogen bonds · protein-protein
- C–O · 3664 Ų buried · 62 hydrogen bonds · protein-protein
- A–M · 3656 Ų buried · 63 hydrogen bonds · protein-protein
- E–Q · 3654 Ų buried · 62 hydrogen bonds · protein-protein
- F–R · 3650 Ų buried · 64 hydrogen bonds · protein-protein
Compared structures
- P00437 · AlphaFold monomer V2.0 prediction for protocatechuate 3,4-dioxygenase beta chain (P00437) · a predicted model of the same protein · chain M against A, TM-score 1.00
- 2PCD · Structure of protocatechuate 3,4-dioxygenase from pseudomonas aeruginosa at 2.15… · the same entry in another collection · chain O against O, 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 P00436
- Every structure of UniProt P00437
- Elsewhere: RCSB PDB 2PCD · PDBe 2PCD · UniProt P00436 · UniProt P00437
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