MolNFT v1 · #127860 · protein
Structure of the C. crescentus S-layer
5N97 · S-layer protein rsaa: “Structure of the C. crescentus S-layer”. Electron microscopy, 1 ligand (CA), 3 pockets (best druggability 0.35). MolNFT v1 #127860 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5N97
- Type
- protein
- Length
- 4,668 residues
- Chains
- 6
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-layer protein rsaa
- UniProt
- A0A0H3C8J1
- Ligands
- CA
- Pockets
- 3 · best druggability 0.35
Structure
electron microscopy · 1 distinct chain · 2% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | S-layer protein rsaa | protein | 778 | 2% helix, 43% strand | A0A0H3C8J1 |
Ligands and binding sites
- CA · Calcium ion · metal · 114 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 105 | 0.35 | 0.74 | 24 | empty |
| 2 | 59 | 0.31 | 0.76 | 13 | empty |
| 3 | 60 | 0.29 | 0.74 | 15 | empty |
Interfaces
6 interfaces between chains.
- A–C · 352 Ų buried · 3 hydrogen bonds · protein-protein
- C–F · 352 Ų buried · 6 hydrogen bonds · protein-protein
- D–E · 341 Ų buried · 3 hydrogen bonds · protein-protein
- A–E · 341 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 329 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5N97 · Structure of the C. crescentus S-layer · 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 A0A0H3C8J1
- Elsewhere: RCSB PDB 5N97 · PDBe 5N97 · UniProt A0A0H3C8J1
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