MolNFT v1 · #100025 · protein
Structure of maize cytokinin OXIDASE/DEHYDROGENASE 2 (ZMCKO2)
4MLA · Cytokinin oxidase 2: “Structure of maize cytokinin OXIDASE/DEHYDROGENASE 2 (ZMCKO2)”. X-ray diffraction, 1 ligand (FAD), 16 pockets (best druggability 0.83). MolNFT v1 #100025 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4MLA
- Type
- protein
- Length
- 937 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytokinin oxidase 2
- UniProt
- Q709Q5
- Ligands
- FAD
- Pockets
- 16 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytokinin oxidase 2 | protein | 477 | 35% helix, 25% strand | Q709Q5 |
| B | Cytokinin oxidase 2 | protein | 460 | 34% helix, 24% strand | Q709Q5 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- IPA · Isopropyl alcohol · additive · 29 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1100 | 0.83 | 0.84 | 79 | FAD, EDO, IPA |
| 2 | 723 | 0.83 | 0.86 | 75 | FAD, EDO, IPA |
| 3 | 62 | 0.72 | 0.97 | 22 | empty |
| 4 | 124 | 0.71 | 0.92 | 22 | GOL |
| 5 | 127 | 0.70 | 0.91 | 24 | IPA |
Modifications
Observed in the structure: 2 cofactor (flavinylation).
Compared structures
- 4MLA · Structure of maize cytokinin oxidase/dehydrogenase 2 (ZmCKO2) · 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 Q709Q5
- Elsewhere: RCSB PDB 4MLA · PDBe 4MLA · UniProt Q709Q5
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