MolNFT v1 · #96139 · protein
Crystal structure of BT_0970, a had family phosphatase from bacteroides thetaiotaomicron vpi-5482, target efi-501083, with bound sodium and glycerol, closed lid, ordered loop
4JB3 · Haloacid dehalogenase-like hydrolase: “Crystal structure of BT_0970, a had family phosphatase from bacteroides thetaiotaomicron vpi-5482, target…”. X-ray diffraction, 1 ligand (NA), 1 pocket (best druggability 0.73). MolNFT v1…
- PDB
- 4JB3
- Type
- protein
- Length
- 218 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Haloacid dehalogenase-like hydrolase
- UniProt
- Q8A947
- Ligands
- NA
- Pockets
- 1 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Haloacid dehalogenase-like hydrolase | protein | 218 | 48% helix, 11% strand | Q8A947 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 69 | 0.73 | 0.98 | 24 | NA, GOL |
Compared structures
- 4JB3 · Crystal structure of BT_0970, a had family phosphatase from bacteroides thetaiotaomicron… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8A947 · AlphaFold monomer V2.0 prediction for D-ribitol-5-phosphate phosphatase (Q8A947) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 Q8A947
- Elsewhere: RCSB PDB 4JB3 · PDBe 4JB3 · UniProt Q8A947
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