MolNFT v1 · #94011 · protein
Crystal structure of metarhizium anisopliae idcase in apo form
4HJW · Uracil-5-carboxylate decarboxylase: “Crystal structure of metarhizium anisopliae idcase in apo form”. X-ray diffraction, 1 ligand (ZN), 18 pockets (best druggability 0.67). MolNFT v1 #94011 on GenesisL1: 3D structure, binding sites…
- PDB
- 4HJW
- Type
- protein
- Length
- 1,128 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uracil-5-carboxylate decarboxylase
- EC
- 4.1.1.66
- UniProt
- E9F0X0
- Ligands
- ZN
- Pockets
- 18 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Uracil-5-carboxylate decarboxylase (EC 4.1.1.66) | protein | 375 | 50% helix, 13% strand | E9F0X0 |
| C | Uracil-5-carboxylate decarboxylase (EC 4.1.1.66) | protein | 378 | 49% helix, 13% strand | E9F0X0 |
Ligands and binding sites
- ZN · Zinc ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 295 | 0.67 | 0.82 | 41 | empty |
| 2 | 298 | 0.66 | 0.82 | 45 | empty |
| 3 | 228 | 0.60 | 0.80 | 22 | empty |
| 4 | 237 | 0.58 | 0.79 | 31 | empty |
| 5 | 213 | 0.57 | 0.79 | 32 | empty |
Interfaces
2 interfaces between chains.
- A–B · 3179 Ų buried · 33 hydrogen bonds · protein-protein
- A–C · 583 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4HJW · Crystal structure of Metarhizium anisopliae IDCase in apo form · 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 E9F0X0
- Elsewhere: RCSB PDB 4HJW · PDBe 4HJW · UniProt E9F0X0
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