MolNFT v1 · #149917 · protein
Crystal structure of mycobacterium tuberculosis bioa
6GE8 · Adenosylmethionine-8-amino-7-oxononanoate aminotransferase: “Crystal structure of mycobacterium tuberculosis bioa”. X-ray diffraction, 2 ligands (EWE, MG), 3 pockets (best druggability 0.79). MolNFT v1 #149917 on GenesisL1: 3D…
- PDB
- 6GE8
- Type
- protein
- Length
- 842 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenosylmethionine-8-amino-7-oxononanoate aminotransferase
- EC
- 2.6.1.62
- UniProt
- A0A120IWN6
- Ligands
- EWE, MG
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase (EC 2.6.1.62) | protein | 422 | 42% helix, 20% strand | A0A120IWN6 |
| B | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase (EC 2.6.1.62) | protein | 420 | 41% helix, 20% strand | A0A120IWN6 |
Ligands and binding sites
- EWE · [(2~{S})-3-(1~{H}-indol-3-yl)-1-[(2~{E})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene]hydrazinyl]-1-oxidanylidene-propan-2-yl]azanium · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1044 | 0.79 | 0.81 | 116 | EWE |
| 2 | 819 | 0.76 | 0.80 | 103 | EWE |
| 3 | 71 | 0.35 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 4448 Ų buried · 49 hydrogen bonds · protein-protein
Compared structures
- 6GE8 · Crystal structure of Mycobacterium tuberculosis BioA · 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 A0A120IWN6
- Elsewhere: RCSB PDB 6GE8 · PDBe 6GE8 · UniProt A0A120IWN6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.