MolNFT v1 · #106109 · protein
Crystal structure of the putative ALPHA/BETA hydrolase family protein from desulfitobacterium hafniense
4RPC: “Crystal structure of the putative ALPHA/BETA hydrolase family protein from desulfitobacterium hafniense”. X-ray diffraction, 5 pockets (best druggability 0.73). MolNFT v1 #106109 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4RPC
- Type
- protein
- Length
- 500 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative ALPHA/BETA hydrolase
- UniProt
- B8FSW0
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative ALPHA/BETA hydrolase | protein | 250 | 43% helix, 17% strand | B8FSW0 |
Ligands and binding sites
- PG4 · Tetraethylene glycol · additive · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 349 | 0.73 | 0.85 | 42 | empty |
| 2 | 154 | 0.65 | 0.86 | 23 | empty |
| 3 | 85 | 0.51 | 0.83 | 18 | empty |
| 4 | 87 | 0.51 | 0.83 | 19 | empty |
| 5 | 119 | 0.37 | 0.73 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 540 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 4RPC · Crystal structure of the putative alpha/beta hydrolase family protein from… · 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 B8FSW0
- Elsewhere: RCSB PDB 4RPC · PDBe 4RPC · UniProt B8FSW0
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