MolNFT v1 · #142683 · protein
Ab initio crystal structure of selenomethionine labelled mycobacterium smegmatis mfd
6AC6: “Ab initio crystal structure of selenomethionine labelled mycobacterium smegmatis mfd”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.85). MolNFT v1 #142683 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6AC6
- Type
- protein
- Length
- 2,307 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mycobacterium smegmatis mfd
- EC
- 3.6.4.-
- UniProt
- I7G7M2
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mycobacterium smegmatis mfd (EC 3.6.4.-) | protein | 1154 | 40% helix, 17% strand | I7G7M2 |
| B | Mycobacterium smegmatis mfd (EC 3.6.4.-) | protein | 1153 | 40% helix, 17% strand | I7G7M2 |
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
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 833 | 0.85 | 0.87 | 101 | empty |
| 2 | 924 | 0.80 | 0.83 | 91 | SO4 |
| 3 | 168 | 0.75 | 0.92 | 31 | empty |
| 4 | 217 | 0.73 | 0.88 | 37 | empty |
| 5 | 243 | 0.72 | 0.87 | 38 | empty |
Interfaces
1 interface between chains.
- A–B · 927 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 50 modified (engineered).
Compared structures
- 6AC6 · Ab initio crystal structure of Selenomethionine labelled Mycobacterium smegmatis Mfd · 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 I7G7M2
- Elsewhere: RCSB PDB 6AC6 · PDBe 6AC6 · UniProt I7G7M2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.