MolNFT v1 · #85710 · protein
Mutations in the neighbourhood of cota-laccase trinuclear SITE:E498T mutant
4AKP · Spore coat protein a: “Mutations in the neighbourhood of cota-laccase trinuclear SITE:E498T mutant”. X-ray diffraction, 2 ligands (CU, OXY), 6 pockets (best druggability 0.55). MolNFT v1 #85710 on GenesisL1: 3D structure, binding…
- PDB
- 4AKP
- Type
- protein
- Length
- 505 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spore coat protein a
- EC
- 1.10.3.2
- UniProt
- P07788
- Ligands
- CU, OXY
- Pockets
- 6 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spore coat protein a (EC 1.10.3.2) | protein | 505 | 8% helix, 41% strand | P07788 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 4 copies · chains A
- OXY · Oxygen molecule · ion · chains A
- EDO · 1,2-ethanediol · additive · 12 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 167 | 0.55 | 0.80 | 29 | EDO |
| 2 | 146 | 0.46 | 0.77 | 25 | empty |
| 3 | 74 | 0.45 | 0.82 | 14 | empty |
| 4 | 83 | 0.39 | 0.78 | 17 | empty |
| 5 | 117 | 0.38 | 0.74 | 29 | empty |
Modifications
Observed in the structure: 1 disulfide, 1 modified (disulfide, oxidation).
Compared structures
- 4AKP · Mutations in the neighbourhood of CotA-laccase trinuclear site: E498T mutant · the same entry in another collection · chain A against A, TM-score 1.00
- P07788 · AlphaFold monomer V2.0 prediction for spore coat protein a (P07788) · 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 P07788
- Elsewhere: RCSB PDB 4AKP · PDBe 4AKP · UniProt P07788
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