Research workbench
Crystal structure of pneumococcal surface antigen psaa with manganese
Analyse Crystal structure of pneumococcal surface antigen psaa with manganese in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ZTT
- Type
- protein
- Length
- 1,112 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Manganese ABC transporter substrate-binding lipoprotein
- UniProt
- P0A4G3
- Ligands
- MN
- Pockets
- 9 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Manganese ABC transporter substrate-binding lipoprotein | protein | 278 | 45% helix, 16% strand | P0A4G3 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1176 | 0.83 | 0.84 | 110 | empty |
| 2 | 776 | 0.75 | 0.80 | 79 | empty |
| 3 | 385 | 0.58 | 0.75 | 35 | empty |
| 4 | 89 | 0.35 | 0.75 | 25 | empty |
| 5 | 82 | 0.32 | 0.73 | 21 | empty |
Interfaces
5 interfaces between chains.
- A–B · 681 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 508 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 426 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 258 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 45 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3ZTT · Crystal structure of pneumococcal surface antigen PsaA with manganese · the same entry in another collection · chain A against A, TM-score 1.00
- P0A4G3 · AlphaFold monomer V2.0 prediction for manganese ABC transporter substrate-binding… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P0A4G3
- Elsewhere: RCSB PDB 3ZTT · PDBe 3ZTT · UniProt P0A4G3
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