MolNFT v1 · #67593 · protein
Crystal structure of A3VP1 of AGI/II of streptococcus mutans
3IOX: “Crystal structure of A3VP1 of AGI/II of streptococcus mutans”. X-ray diffraction, 3 ligands (PMS, CA, SO3), 2 pockets (best druggability 0.65). MolNFT v1 #67593 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3IOX
- Type
- protein
- Length
- 489 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AGI/II
- UniProt
- A8R5D9
- Ligands
- PMS, CA, SO3
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AGI/II | protein | 489 | 30% helix, 26% strand | A8R5D9 |
Ligands and binding sites
- PMS · phenylmethanesulfonic acid · ligand · chains A
- CA · Calcium ion · metal · chains A
- SO3 · Sulfite ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 494 | 0.65 | 0.77 | 49 | PMS |
| 2 | 67 | 0.28 | 0.73 | 18 | empty |
Compared structures
- 3IOX · Crystal Structure of A3VP1 of AgI/II of Streptococcus mutans · 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 A8R5D9
- Elsewhere: RCSB PDB 3IOX · PDBe 3IOX · UniProt A8R5D9
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