MolNFT v1 · #172766 · protein
LID/HID (lmw slp and hmw slp interacting domains) from C. difficile (R7404 strain)
7ACW · S-layer protein: “LID/HID (lmw slp and hmw slp interacting domains) from C. difficile (R7404 strain)”. X-ray diffraction, 1 pocket (best druggability 0.53). MolNFT v1 #172766 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7ACW
- Type
- protein
- Length
- 214 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-layer protein
- EC
- 3.5.1.28
- UniProt
- Q9AEM2
- Pockets
- 1 · best druggability 0.53
Structure
x-ray diffraction · 4 distinct chains · 46% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | S-layer protein (EC 3.5.1.28) | protein | 69 | 35% helix, 30% strand | Q9AEM2 |
| B | S-layer protein (EC 3.5.1.28) | protein | 39 | 69% helix, 18% strand | Q9AEM2 |
| C | S-layer protein (EC 3.5.1.28) | protein | 70 | 34% helix, 30% strand | Q9AEM2 |
| D | S-layer protein (EC 3.5.1.28) | protein | 36 | 67% helix, 19% strand | Q9AEM2 |
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 146 | 0.53 | 0.81 | 29 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1754 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 1734 Ų buried · 28 hydrogen bonds · protein-protein
- A–C · 326 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 110 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 7ACW · LID/HID (LMW SLP and HMW SLP interacting domains) from C. difficile (R7404 strain) · 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 Q9AEM2
- Elsewhere: RCSB PDB 7ACW · PDBe 7ACW · UniProt Q9AEM2
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