MolNFT v1 · #159846 · protein
Bshb from bacillus subtilis complexed with citrate
6P2T · N-acetyl-alpha-D-glucosaminyl L-malate deacetylase 1: “Bshb from bacillus subtilis complexed with citrate”. X-ray diffraction, 2 ligands (ZN, NA), 2 pockets (best druggability 0.54). MolNFT v1 #159846 on GenesisL1: 3D structure…
- PDB
- 6P2T
- Type
- protein
- Length
- 232 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acetyl-alpha-D-glucosaminyl L-malate deacetylase 1
- EC
- 3.5.1.-
- UniProt
- P42981
- Ligands
- ZN, NA
- Pockets
- 2 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-acetyl-alpha-D-glucosaminyl L-malate deacetylase 1 (EC 3.5.1.-) | protein | 232 | 41% helix, 14% strand | P42981 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A
- NA · Sodium ion · metal · chains A
- CIT · Citric acid · additive · 2 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 | 124 | 0.54 | 0.83 | 25 | CIT |
| 2 | 151 | 0.41 | 0.73 | 23 | empty |
Compared structures
- 6P2T · BshB from Bacillus subtilis complexed with citrate · the same entry in another collection · chain A against A, TM-score 1.00
- P42981 · AlphaFold monomer V2.0 prediction for N-acetyl-alpha-D-glucosaminyl L-malate deacetylase… · a predicted model of the same protein · 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 P42981
- Elsewhere: RCSB PDB 6P2T · PDBe 6P2T · UniProt P42981
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