MolNFT v1 · #179513 · protein
BETAB2-crystallin
7K7U · Beta-crystallin B2: “BETAB2-crystallin”. X-ray diffraction, 6 pockets (best druggability 0.70). MolNFT v1 #179513 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7K7U
- Type
- protein
- Length
- 2,221 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-crystallin B2
- UniProt
- P43320
- Pockets
- 6 · best druggability 0.70
Structure
x-ray diffraction · 8 distinct chains · 6% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| I, L | Beta-crystallin B2 | protein | 184 | 7% helix, 42% strand | P43320 |
| J, B | Beta-crystallin B2 | protein | 187 | 2% helix, 44% strand | P43320 |
| K, A, C | Beta-crystallin B2 | protein | 186 | 5% helix, 42% strand | P43320 |
| D | Beta-crystallin B2 | protein | 185 | 9% helix, 45% strand | P43320 |
| E | Beta-crystallin B2 | protein | 185 | 7% helix, 42% strand | P43320 |
| F | Beta-crystallin B2 | protein | 184 | 9% helix, 45% strand | P43320 |
| G | Beta-crystallin B2 | protein | 184 | 4% helix, 42% strand | P43320 |
| H | Beta-crystallin B2 | protein | 183 | 9% helix, 42% strand | P43320 |
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 846 | 0.70 | 0.76 | 108 | empty |
| 2 | 762 | 0.69 | 0.76 | 105 | empty |
| 3 | 565 | 0.67 | 0.77 | 87 | empty |
| 4 | 253 | 0.53 | 0.76 | 39 | empty |
| 5 | 107 | 0.33 | 0.72 | 16 | empty |
Interfaces
21 interfaces between chains.
- I–L · 2317 Ų buried · 34 hydrogen bonds · protein-protein
- J–K · 2311 Ų buried · 38 hydrogen bonds · protein-protein
- A–D · 2230 Ų buried · 35 hydrogen bonds · protein-protein
- B–G · 2202 Ų buried · 34 hydrogen bonds · protein-protein
- C–E · 2193 Ų buried · 35 hydrogen bonds · protein-protein
Compared structures
- 7K7U · BetaB2-crystallin · the same entry in another collection · chain H against H, 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 P43320
- Elsewhere: RCSB PDB 7K7U · PDBe 7K7U · UniProt P43320
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