Research workbench
Crystal structure of pneumococcal surface antigen psaa D280N in the CD-bound, open state
Analyse Crystal structure of pneumococcal surface antigen psaa D280N in the CD-bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4UTO
- Type
- protein
- Length
- 556 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Manganese ABC transporter substrate-binding lipoprotein
- UniProt
- P0A4G2
- Ligands
- CD
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Manganese ABC transporter substrate-binding lipoprotein | protein | 278 | 48% helix, 14% strand | P0A4G2 |
Ligands and binding sites
- CD · Cadmium ion · metal · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 821 | 0.80 | 0.83 | 101 | TRS |
| 2 | 199 | 0.54 | 0.78 | 38 | empty |
| 3 | 244 | 0.53 | 0.76 | 42 | empty |
Interfaces
1 interface between chains.
- A–B · 790 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4UTO · Crystal structure of pneumococcal surface antigen PsaA D280N in the Cd-bound, open state · the same entry in another collection · chain A against A, TM-score 1.00
- P0A4G2 · AlphaFold monomer V2.0 prediction for manganese ABC transporter substrate-binding… · 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 P0A4G2
- Elsewhere: RCSB PDB 4UTO · PDBe 4UTO · UniProt P0A4G2
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