MolNFT v1 · #73794 · protein
Structure of recombinant haemophilus influenzae E(P4) acid phosphatase mutant D66N complexed with 3'-AMP
3OCW · Lipoprotein E: “Structure of recombinant haemophilus influenzae E(P4) acid phosphatase mutant D66N complexed with 3'-AMP”. X-ray diffraction, 2 ligands (3AM, MG), 3 pockets (best druggability 0.70). MolNFT v1 #73794 on GenesisL1: 3D…
- PDB
- 3OCW
- Type
- protein
- Length
- 247 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipoprotein E
- EC
- 3.1.3.2
- UniProt
- P26093
- Ligands
- 3AM, MG
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipoprotein E (EC 3.1.3.2) | protein | 247 | 50% helix, 15% strand | P26093 |
Ligands and binding sites
- 3AM · [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 451 | 0.70 | 0.81 | 49 | MG, 3AM |
| 2 | 56 | 0.32 | 0.76 | 12 | empty |
| 3 | 81 | 0.30 | 0.72 | 16 | empty |
Compared structures
- 3OCW · Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase mutant D66N… · the same entry in another collection · chain A against A, TM-score 1.00
- P26093 · AlphaFold monomer V2.0 prediction for lipoprotein E (P26093) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P26093
- Elsewhere: RCSB PDB 3OCW · PDBe 3OCW · UniProt P26093
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