MolNFT v1 · #109223 · protein
Crystal structure of binary complex BUD32-CGI121
4WWA · EKC/KEOPS complex subunit BUD32: “Crystal structure of binary complex BUD32-CGI121”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.59). MolNFT v1 #109223 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4WWA
- Type
- protein
- Length
- 393 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
- SO4
- Pockets
- 4 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | EKC/KEOPS complex subunit BUD32 (EC 3.6.-.-, 2.7.11.1) | protein | 224 | 45% helix, 20% strand | P53323 |
| B | EKC/KEOPS complex subunit CGI121 | protein | 169 | 42% helix, 17% strand | Q03705 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 262 | 0.59 | 0.78 | 32 | empty |
| 2 | 71 | 0.34 | 0.76 | 13 | empty |
| 3 | 79 | 0.34 | 0.75 | 18 | empty |
| 4 | 56 | 0.28 | 0.74 | 21 | SO4 |
Interfaces
1 interface between chains.
- A–B · 1200 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4WWA · Crystal structure of binary complex Bud32-Cgi121 · 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 4WWA · PDBe 4WWA · UniProt P53323 · UniProt Q03705
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