Research workbench
Crystal structure of clpb NBD1 in complex with guanidinium chloride and ADP
Analyse Crystal structure of clpb NBD1 in complex with guanidinium chloride and ADP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HSE
- Type
- protein
- Length
- 369 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chaperone protein clpb
- UniProt
- Q9RA63
- Ligands
- GAI, ADP, CL
- Pockets
- 3 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 66% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chaperone protein clpb | protein | 369 | 66% helix, 9% strand | Q9RA63 |
Ligands and binding sites
- GAI · Guanidine · ligand · chains A
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- CL · Chloride ion · ion · 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 | 205 | 0.53 | 0.78 | 29 | GAI, ADP |
| 2 | 204 | 0.48 | 0.75 | 29 | empty |
| 3 | 75 | 0.35 | 0.76 | 19 | empty |
Compared structures
- 4HSE · Crystal structure of ClpB NBD1 in complex with guanidinium chloride and ADP · the same entry in another collection · chain A against A, TM-score 1.00
- Q9RA63 · AlphaFold monomer V2.0 prediction for chaperone protein clpb (Q9RA63) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q9RA63
- Elsewhere: RCSB PDB 4HSE · PDBe 4HSE · UniProt Q9RA63
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