MolNFT v1 · #149561 · protein
Crystal structure of mavirus major capsid protein lacking the C- terminal domain
6G44 · Putative major capsid protein: “Crystal structure of mavirus major capsid protein lacking the C- terminal domain”. X-ray diffraction, 1 ligand (SO4), 16 pockets (best druggability 0.82). MolNFT v1 #149561 on GenesisL1: 3D structure…
- PDB
- 6G44
- Type
- protein
- Length
- 1,535 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative major capsid protein
- UniProt
- A0A1L4BK98
- Ligands
- SO4
- Pockets
- 16 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 14% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative major capsid protein | protein | 511 | 14% helix, 38% strand | A0A1L4BK98 |
| C | Putative major capsid protein | protein | 513 | 14% helix, 38% strand | A0A1L4BK98 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 19 copies · chains A, C, B
- GOL · Glycerol · additive · 12 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 751 | 0.82 | 0.86 | 96 | SO4 |
| 2 | 936 | 0.81 | 0.83 | 93 | SO4, GOL |
| 3 | 604 | 0.79 | 0.85 | 67 | SO4 |
| 4 | 521 | 0.71 | 0.80 | 54 | GOL |
| 5 | 572 | 0.71 | 0.79 | 63 | GOL |
Interfaces
3 interfaces between chains.
- B–C · 4252 Ų buried · 57 hydrogen bonds · protein-protein
- A–B · 4162 Ų buried · 58 hydrogen bonds · protein-protein
- A–C · 4131 Ų buried · 57 hydrogen bonds · protein-protein
Compared structures
- 6G44 · Crystal structure of mavirus major capsid protein lacking the C-terminal domain · the same entry in another collection · chain A against A, 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 A0A1L4BK98
- Elsewhere: RCSB PDB 6G44 · PDBe 6G44 · UniProt A0A1L4BK98
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