MolNFT v1 · #186755 · protein
Amyloid-related segment of alphab-crystallin residues 90-100 with G95W mutation
7ROJ · Alpha-crystallin B chain peptide: “Amyloid-related segment of alphab-crystallin residues 90-100 with G95W mutation”. X-ray diffraction, 1 ligand (NA), 3 pockets (best druggability 0.71). MolNFT v1 #186755 on GenesisL1: 3D structure…
- PDB
- 7ROJ
- Type
- protein
- Length
- 132 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-crystallin B chain peptide
- UniProt
- P02511
- Ligands
- NA
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 82% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Alpha-crystallin B chain peptide | protein | 11 | 0% helix, 82% strand | P02511 |
Ligands and binding sites
- NA · Sodium ion · metal · chains A, K, L
- TFA · trifluoroacetic acid · additive · 4 copies · chains B, C, D, E, F, A, G, H, I, J, K
- GOL · Glycerol · additive · chains A, I, J, L
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 | 373 | 0.71 | 0.82 | 38 | TFA |
| 2 | 65 | 0.49 | 0.85 | 19 | empty |
| 3 | 90 | 0.33 | 0.73 | 16 | GOL |
Interfaces
39 interfaces between chains.
- I–J · 566 Ų buried · 16 hydrogen bonds · protein-protein
- G–H · 566 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 541 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 538 Ų buried · 16 hydrogen bonds · protein-protein
- E–F · 534 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 7ROJ · Amyloid-related segment of alphaB-crystallin residues 90-100 with G95W mutation · the same entry in another collection · chain I against I, 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 P02511
- Elsewhere: RCSB PDB 7ROJ · PDBe 7ROJ · UniProt P02511
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