MolNFT v1 · #104447 · protein
Crystal structure of a cystatin-like protein (RUMGNA_02398) from ruminococcus gnavus atcc 29149 at 2.10 a resolution
4QAN · Hypothetical protein: “Crystal structure of a cystatin-like protein (RUMGNA_02398) from ruminococcus gnavus atcc 29149 at 2.10 a…”. X-ray diffraction, 1 ligand (MG), 9 pockets (best druggability 0.74). MolNFT v1 #104447 on…
- PDB
- 4QAN
- Type
- protein
- Length
- 757 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein
- UniProt
- A7B4B4
- Ligands
- MG
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein | protein | 385 | 38% helix, 23% strand | A7B4B4 |
| B | Hypothetical protein | protein | 372 | 42% helix, 22% strand | A7B4B4 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 61 | 0.74 | 0.99 | 21 | empty |
| 2 | 58 | 0.73 | 0.99 | 21 | empty |
| 3 | 510 | 0.70 | 0.79 | 45 | empty |
| 4 | 143 | 0.53 | 0.80 | 22 | empty |
| 5 | 168 | 0.51 | 0.78 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 580 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
- 4QAN · Crystal structure of a cystatin-like protein (RUMGNA_02398) from Ruminococcus gnavus ATCC… · 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 A7B4B4
- Elsewhere: RCSB PDB 4QAN · PDBe 4QAN · UniProt A7B4B4
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