MolNFT v1 · #109218 · protein
Crystal structure of binary complex BUD32-CGI121 in complex with ampp
4WW5 · EKC/KEOPS complex subunit BUD32: “Crystal structure of binary complex BUD32-CGI121 in complex with ampp”. X-ray diffraction, 2 ligands (ANP, SO4), 5 pockets (best druggability 0.62). MolNFT v1 #109218 on GenesisL1: 3D structure…
- PDB
- 4WW5
- Type
- protein
- Length
- 413 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- EKC/KEOPS complex subunit BUD32; EKC/KEOPS complex subunit CGI121
- EC
- 3.6.-.-, 2.7.11.1
- UniProt
- P53323, Q03705
- Ligands
- ANP, SO4
- Pockets
- 5 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | EKC/KEOPS complex subunit BUD32 (EC 3.6.-.-, 2.7.11.1) | protein | 236 | 44% helix, 19% strand | P53323 |
| B | EKC/KEOPS complex subunit CGI121 | protein | 177 | 46% helix, 18% strand | Q03705 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- ACT · Acetate ion · additive · 3 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 217 | 0.62 | 0.81 | 31 | ANP |
| 2 | 162 | 0.47 | 0.76 | 27 | empty |
| 3 | 93 | 0.42 | 0.78 | 17 | empty |
| 4 | 78 | 0.33 | 0.74 | 14 | empty |
| 5 | 69 | 0.30 | 0.74 | 18 | GOL |
Interfaces
1 interface between chains.
- A–B · 1216 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4WW5 · Crystal structure of binary complex Bud32-Cgi121 in complex with AMPP · the same entry in another collection · chain A against A, TM-score 1.00
- Q03705 · AlphaFold monomer V2.0 prediction for EKC/KEOPS complex subunit CGI121 (Q03705) · a predicted model of the same protein · chain B against A, TM-score 0.98
- P53323 · AlphaFold monomer V2.0 prediction for EKC/KEOPS complex subunit BUD32 (P53323) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P53323
- Every structure of UniProt Q03705
- Elsewhere: RCSB PDB 4WW5 · PDBe 4WW5 · UniProt P53323 · UniProt Q03705
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