MolNFT v1 · #104177 · protein
Structural proteomics from crude native rod outer segments
4Q2R · Creatine kinase B-type: “Structural proteomics from crude native rod outer segments”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.82). MolNFT v1 #104177 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4Q2R
- Type
- protein
- Length
- 732 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Creatine kinase B-type
- EC
- 2.7.3.2
- UniProt
- Q5EA61
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Creatine kinase B-type (EC 2.7.3.2) | protein | 366 | 39% helix, 17% strand | Q5EA61 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 864 | 0.82 | 0.84 | 63 | empty |
| 2 | 278 | 0.61 | 0.79 | 39 | SO4 |
| 3 | 288 | 0.59 | 0.78 | 41 | empty |
| 4 | 143 | 0.41 | 0.74 | 21 | empty |
| 5 | 114 | 0.38 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1356 Ų buried · 34 hydrogen bonds · protein-protein
Compared structures
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 Q5EA61
- Elsewhere: RCSB PDB 4Q2R · PDBe 4Q2R · UniProt Q5EA61
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