MolNFT v1 · #75954 · protein
Crystal structure of virulent allele ROP5B pseudokinase domain
3Q5Z: “Crystal structure of virulent allele ROP5B pseudokinase domain”. X-ray diffraction, 3 pockets (best druggability 0.75). MolNFT v1 #75954 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3Q5Z
- Type
- protein
- Length
- 336 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ROP5B
- EC
- 2.7.11.1
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ROP5B (EC 2.7.11.1) | protein | 336 | 43% helix, 21% strand | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
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 | 647 | 0.75 | 0.81 | 64 | EDO |
| 2 | 78 | 0.40 | 0.79 | 15 | empty |
| 3 | 72 | 0.32 | 0.75 | 18 | EDO |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3Q5Z · Crystal structure of virulent allele ROP5B pseudokinase 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
- Elsewhere: RCSB PDB 3Q5Z · PDBe 3Q5Z
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