MolNFT v1 · #69386 · protein
Crystal structure of ornithine 4,5 aminomutase in complex with ornithine (anaerobic)
3KOZ · D-ornithine aminomutase E component: “Crystal structure of ornithine 4,5 aminomutase in complex with ornithine (anaerobic)”. X-ray diffraction, 3 ligands (B12, 5AD, Z97), 20 pockets (best druggability 0.80). MolNFT v1 #69386 on…
- PDB
- 3KOZ
- Type
- protein
- Length
- 3,352 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- D-ornithine aminomutase E component; D-ornithine aminomutase S component
- UniProt
- Q8VPJ5, Q8VPJ6
- Ligands
- B12, 5AD, Z97
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | D-ornithine aminomutase E component | protein | 728 | 40% helix, 15% strand | Q8VPJ5 |
| E, F, G, H | D-ornithine aminomutase S component | protein | 110 | 71% helix, 2% strand | Q8VPJ6 |
Ligands and binding sites
- B12 · Cobalamin · ligand · 4 copies · chains A, C, B, D
- 5AD · 5'-deoxyadenosine · ligand · 4 copies · chains A, C, B, D
- Z97 · (E)-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-ornithine · ligand · 4 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1152 | 0.80 | 0.81 | 145 | B12, Z97 |
| 2 | 930 | 0.79 | 0.81 | 96 | B12, Z97 |
| 3 | 992 | 0.79 | 0.81 | 111 | Z97, B12 |
| 4 | 879 | 0.79 | 0.81 | 61 | empty |
| 5 | 774 | 0.77 | 0.81 | 64 | empty |
Interfaces
12 interfaces between chains.
- B–D · 6714 Ų buried · 93 hydrogen bonds · protein-protein
- A–C · 6665 Ų buried · 87 hydrogen bonds · protein-protein
- D–H · 3053 Ų buried · 45 hydrogen bonds · protein-protein
- B–F · 3015 Ų buried · 46 hydrogen bonds · protein-protein
- A–E · 2980 Ų buried · 44 hydrogen bonds · protein-protein
Compared structures
- 3KOZ · Crystal Structure of ornithine 4,5 aminomutase in complex with ornithine (Anaerobic) · 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 Q8VPJ5
- Every structure of UniProt Q8VPJ6
- Elsewhere: RCSB PDB 3KOZ · PDBe 3KOZ · UniProt Q8VPJ5 · UniProt Q8VPJ6
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