MolNFT v1 · #84419 · protein
Crystal structure of pneumococcal surface antigen psaa in the metal- free, open state
3ZK7 · Manganese ABC transporter substrate-binding lipoprotein: “Crystal structure of pneumococcal surface antigen psaa in the metal- free, open state”. X-ray diffraction, 3 pockets (best druggability 0.81). MolNFT v1 #84419 on GenesisL1…
- PDB
- 3ZK7
- 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
- Pockets
- 3 · best druggability 0.81
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
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 4 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 888 | 0.81 | 0.83 | 104 | TRS |
| 2 | 207 | 0.58 | 0.80 | 30 | TRS |
| 3 | 62 | 0.33 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 934 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3ZK7 · Crystal structure of pneumococcal surface antigen psaa in the metal-free, 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 3ZK7 · PDBe 3ZK7 · UniProt P0A4G2
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