Research workbench
Crystal structure of human brain-type creatine kinase
Analyse Crystal structure of human brain-type creatine kinase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3B6R
- Type
- protein
- Length
- 752 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
- P12277
- Ligands
- ADP, CRN, MG, NO3
- Pockets
- 4 · best druggability 0.81
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 | 376 | 39% helix, 17% strand | P12277 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains B
- CRN · N-[(E)-amino(imino)methyl]-N-methylglycine · ligand · chains B
- MG · Magnesium ion · metal · chains B
- NO3 · Nitrate ion · ion · chains B
- ACT · Acetate ion · additive · 2 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 483 | 0.81 | 0.89 | 65 | MG, NO3, ADP, CRN |
| 2 | 234 | 0.71 | 0.87 | 42 | empty |
| 3 | 965 | 0.70 | 0.75 | 95 | ACT |
| 4 | 229 | 0.48 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 620 Ų buried · 2 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 P12277
- Elsewhere: RCSB PDB 3B6R · PDBe 3B6R · UniProt P12277
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.