MolNFT v1 · #94290 · protein
Crystal structure of clpb NBD1 in complex with guanidinium chloride and ADP
4HSE · Chaperone protein clpb: “Crystal structure of clpb NBD1 in complex with guanidinium chloride and ADP”. X-ray diffraction, 3 ligands (GAI, ADP, CL), 3 pockets (best druggability 0.53). MolNFT v1 #94290 on GenesisL1: 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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