MolNFT v1 · #91357 · protein
Crystal structure of a trimeric bacterial microcompartment shell protein pdub with glycerol metabolites
4FAY · Microcompartments protein: “Crystal structure of a trimeric bacterial microcompartment shell protein pdub with glycerol metabolites”. X-ray diffraction, 4 pockets (best druggability 0.69). MolNFT v1 #91357 on GenesisL1: 3D…
- PDB
- 4FAY
- Type
- protein
- Length
- 681 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Microcompartments protein
- UniProt
- A5VMB3
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Microcompartments protein | protein | 227 | 33% helix, 30% strand | A5VMB3 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 52 | 0.69 | 0.98 | 15 | GOL |
| 2 | 282 | 0.64 | 0.81 | 52 | GOL |
| 3 | 276 | 0.64 | 0.81 | 44 | GOL |
| 4 | 290 | 0.64 | 0.81 | 48 | GOL |
Interfaces
3 interfaces between chains.
- A–C · 1455 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1452 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 1440 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 4FAY · Crystal structure of a trimeric bacterial microcompartment shell protein PduB with… · 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 A5VMB3
- Elsewhere: RCSB PDB 4FAY · PDBe 4FAY · UniProt A5VMB3
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