MolNFT v1 · #99234 · protein
Crystal structure of DXNB2, a carbon - carbon bond hydrolase from sphingomonas wittichii RW1
4LXG · Mcp hydrolase: “Crystal structure of DXNB2, a carbon - carbon bond hydrolase from sphingomonas wittichii RW1”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.73). MolNFT v1 #99234 on GenesisL1: 3D structure…
- PDB
- 4LXG
- Type
- protein
- Length
- 274 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mcp hydrolase
- EC
- 3.7.1.8
- UniProt
- A5VAT9
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mcp hydrolase (EC 3.7.1.8) | protein | 274 | 43% helix, 19% strand | A5VAT9 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 302 | 0.73 | 0.86 | 51 | SO4 |
| 2 | 52 | 0.32 | 0.77 | 16 | empty |
Compared structures
- 4LXG · Crystal structure of DxnB2, a carbon - carbon bond hydrolase from Sphingomonas wittichii… · 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 A5VAT9
- Elsewhere: RCSB PDB 4LXG · PDBe 4LXG · UniProt A5VAT9
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