MolNFT v1 · #53883 · protein
Crystal structure of the reconstituted cota
2X87 · Spore coat protein a: “Crystal structure of the reconstituted cota”. X-ray diffraction, 2 ligands (CU, OH), 5 pockets (best druggability 0.57). MolNFT v1 #53883 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2X87
- 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
- CU, OH
- Pockets
- 5 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spore coat protein a | protein | 505 | 8% helix, 41% strand | P07788 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 4 copies · chains A
- OH · Hydroxide ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 7 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 167 | 0.57 | 0.81 | 37 | EDO |
| 2 | 160 | 0.52 | 0.79 | 31 | empty |
| 3 | 66 | 0.40 | 0.80 | 14 | empty |
| 4 | 94 | 0.33 | 0.73 | 27 | empty |
| 5 | 52 | 0.29 | 0.76 | 18 | empty |
Modifications
Observed in the structure: 1 disulfide, 1 modified (disulfide, oxidation).
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 2X87 · PDBe 2X87 · UniProt P07788
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