MolNFT v1 · #87383 · protein
Structure of the mycobacterium tuberculosis aps kinase cysc in complex with ADP
4BZP · Bifunctional enzyme CYSN/CYSC: “Structure of the mycobacterium tuberculosis aps kinase cysc in complex with ADP”. X-ray diffraction, 1 ligand (ADP), 5 pockets (best druggability 0.70). MolNFT v1 #87383 on GenesisL1: 3D structure…
- PDB
- 4BZP
- Type
- protein
- Length
- 346 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional enzyme CYSN/CYSC
- EC
- 2.7.1.25
- UniProt
- Q10600
- Ligands
- ADP
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Bifunctional enzyme CYSN/CYSC (EC 2.7.1.25) | protein | 173 | 45% helix, 14% strand | Q10600 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- 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
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 441 | 0.70 | 0.81 | 48 | ADP |
| 2 | 421 | 0.68 | 0.80 | 48 | ADP |
| 3 | 121 | 0.42 | 0.76 | 17 | empty |
| 4 | 105 | 0.41 | 0.77 | 17 | empty |
| 5 | 57 | 0.32 | 0.76 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 727 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4BZP · Structure of the Mycobacterium tuberculosis APS kinase CysC in complex with ADP · 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
- Every structure of UniProt Q10600
- Elsewhere: RCSB PDB 4BZP · PDBe 4BZP · UniProt Q10600
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