MolNFT v1 · #17493 · protein
Crystal structure of uncleaved ovalbumin at 1.95 ångströms resolution
1OVA: “Crystal structure of uncleaved ovalbumin at 1.95 ångströms resolution”. X-ray diffraction, 3 ligands (ACE, NAG, CA), 20 pockets (best druggability 0.78). MolNFT v1 #17493 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1OVA
- Type
- protein
- Length
- 1,515 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ovalbumin
- UniProt
- P01012
- Ligands
- ACE, NAG, CA
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Ovalbumin | protein | 385 | 33% helix, 33% strand | P01012 |
| B | Ovalbumin | protein | 372 | 31% helix, 33% strand | P01012 |
| C | Ovalbumin | protein | 373 | 29% helix, 33% strand | P01012 |
Ligands and binding sites
- ACE · Acetyl group · ligand · 4 copies · chains A, B, C, D
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B, C, D
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 360 | 0.78 | 0.88 | 50 | empty |
| 2 | 300 | 0.75 | 0.87 | 45 | empty |
| 3 | 412 | 0.65 | 0.78 | 46 | empty |
| 4 | 264 | 0.62 | 0.81 | 44 | empty |
| 5 | 338 | 0.55 | 0.75 | 39 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1442 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1415 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 788 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 170 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 covalent, 4 glycan, 3 disulfide, 3 modified (covalent ligand, N-glycosylation, disulfide, phosphorylation).
Compared structures
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 P01012
- Elsewhere: RCSB PDB 1OVA · PDBe 1OVA · UniProt P01012
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