MolNFT v1 · #111603 · protein
Crystal structure of cota laccase complexed with abts at a novel binding site
4YVN · Spore coat protein a: “Crystal structure of cota laccase complexed with abts at a novel binding site”. X-ray diffraction, 2 ligands (EBS, CU), 6 pockets (best druggability 0.52). MolNFT v1 #111603 on GenesisL1: 3D structure, binding…
- PDB
- 4YVN
- Type
- protein
- Length
- 505 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spore coat protein a
- UniProt
- P07788
- Ligands
- EBS, CU
- Pockets
- 6 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spore coat protein a | protein | 505 | 7% helix, 41% strand | P07788 |
Ligands and binding sites
- EBS · 3-ethyl-2-[(2Z)-2-(3-ethyl-6-sulfo-1,3-benzothiazol-2(3H)-ylidene)hydrazino]-6-sulfo-3H-1,3-benzothiazol-1-ium · ligand · chains A
- CU · Copper (II) ion · metal · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 5 copies · chains A
- GOL · Glycerol · additive · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 237 | 0.52 | 0.76 | 34 | EBS |
| 2 | 212 | 0.51 | 0.76 | 38 | EDO |
| 3 | 88 | 0.51 | 0.83 | 18 | empty |
| 4 | 84 | 0.34 | 0.74 | 25 | empty |
| 5 | 58 | 0.30 | 0.75 | 15 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4YVN · Crystal structure of CotA laccase complexed with ABTS at a novel binding site · 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 4YVN · PDBe 4YVN · UniProt P07788
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