Research workbench
Crystal structure of kluyvelomyces marxianus HSV2
Analyse Crystal structure of kluyvelomyces marxianus HSV2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3VU4
- Type
- protein
- Length
- 620 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- KMHSV2
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | KMHSV2 | protein | 319 | 0% helix, 53% strand | — |
| B | KMHSV2 | protein | 301 | 0% helix, 54% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 13 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1026 | 0.78 | 0.80 | 102 | SO4 |
| 2 | 505 | 0.71 | 0.81 | 52 | SO4 |
| 3 | 139 | 0.39 | 0.73 | 21 | empty |
| 4 | 71 | 0.34 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 462 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3VU4 · Crystal structure of Kluyvelomyces marxianus Hsv2 · 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
- Elsewhere: RCSB PDB 3VU4 · PDBe 3VU4
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