MolNFT v1 · #39898 · protein
Crystal structure of human MU_CRYSTALLIN at 2.6 ångström
2I99 · Mu-crystallin homolog: “Crystal structure of human MU_CRYSTALLIN at 2.6 ångström”. X-ray diffraction, 1 ligand (NDP), 4 pockets (best druggability 0.74). MolNFT v1 #39898 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2I99
- Type
- protein
- Length
- 623 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mu-crystallin homolog
- UniProt
- Q14894
- Ligands
- NDP
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mu-crystallin homolog | protein | 312 | 38% helix, 24% strand | Q14894 |
| B | Mu-crystallin homolog | protein | 311 | 37% helix, 24% strand | Q14894 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 556 | 0.74 | 0.82 | 59 | NDP |
| 2 | 475 | 0.74 | 0.83 | 53 | NDP |
| 3 | 118 | 0.50 | 0.81 | 23 | empty |
| 4 | 82 | 0.43 | 0.80 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1521 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 2I99 · Crystal structure of human Mu_crystallin at 2.6 Angstrom · the same entry in another collection · chain A against A, TM-score 1.00
- Q14894 · AlphaFold monomer V2.0 prediction for ketimine reductase mu- crystallin (Q14894) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q14894
- Elsewhere: RCSB PDB 2I99 · PDBe 2I99 · UniProt Q14894
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