MolNFT v1 · #108840 · protein
Crystal structure of RSA4 in complex with the NSA2 binding peptide
4WJV · Ribosome assembly protein 4: “Crystal structure of RSA4 in complex with the NSA2 binding peptide”. X-ray diffraction, 2 ligands (GLC, SO4), 20 pockets (best druggability 0.88). MolNFT v1 #108840 on GenesisL1: 3D structure, binding…
- PDB
- 4WJV
- Type
- protein
- Length
- 3,032 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribosome assembly protein 4; Maltose-binding periplasmic protein; Ribosome biogenesis…
- UniProt
- P25382, P0AEX9, P40078
- Ligands
- GLC, SO4
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 5 distinct chains · 32% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Ribosome assembly protein 4 | protein | 378 | 7% helix, 46% strand | P25382 |
| E, G, H | Maltose-binding periplasmic protein | protein | 369 | 45% helix, 20% strand | P0AEX9 |
| F | Maltose-binding periplasmic protein | protein | 368 | 45% helix, 20% strand | P0AEX9 |
| I, J, L | Ribosome biogenesis protein NSA2 | protein | 11 | 0% helix, 0% strand | P40078 |
| K | Ribosome biogenesis protein NSA2 | protein | 12 | 0% helix, 0% strand | P40078 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 8 copies · chains E, F, G, H
- SO4 · Sulfate ion · ion · 10 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 671 | 0.88 | 0.92 | 65 | empty |
| 2 | 653 | 0.88 | 0.92 | 70 | empty |
| 3 | 640 | 0.88 | 0.92 | 64 | empty |
| 4 | 600 | 0.87 | 0.93 | 64 | empty |
| 5 | 339 | 0.76 | 0.87 | 33 | GLC |
Interfaces
16 interfaces between chains.
- C–I · 688 Ų buried · 7 hydrogen bonds · protein-protein
- B–L · 683 Ų buried · 4 hydrogen bonds · protein-protein
- A–K · 666 Ų buried · 4 hydrogen bonds · protein-protein
- D–J · 665 Ų buried · 4 hydrogen bonds · protein-protein
- C–E · 373 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4WJV · Crystal structure of Rsa4 in complex with the Nsa2 binding peptide · the same entry in another collection · chain L against L, 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 P25382
- Every structure of UniProt P0AEX9
- Every structure of UniProt P40078
- Elsewhere: RCSB PDB 4WJV · PDBe 4WJV · UniProt P25382 · UniProt P0AEX9 · UniProt P40078
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