MolNFT v1 · #53884 · protein
Crystal structure of holocota
2X88 · Spore coat protein a: “Crystal structure of holocota”. X-ray diffraction, 2 ligands (CU, OXY), 6 pockets (best druggability 0.57). MolNFT v1 #53884 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2X88
- Type
- protein
- Length
- 504 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spore coat protein a
- UniProt
- P07788
- Ligands
- CU, OXY
- Pockets
- 6 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 9% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spore coat protein a | protein | 504 | 9% helix, 41% strand | P07788 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 5 copies · chains A
- OXY · Oxygen molecule · ion · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 3 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 245 | 0.57 | 0.78 | 48 | empty |
| 2 | 163 | 0.52 | 0.79 | 34 | empty |
| 3 | 70 | 0.39 | 0.79 | 20 | empty |
| 4 | 54 | 0.31 | 0.76 | 17 | empty |
| 5 | 73 | 0.29 | 0.73 | 21 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
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 2X88 · PDBe 2X88 · UniProt P07788
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