MolNFT v1 · #46322 · protein
Mycobacterium tuberculosis chorismate synthase in complex with FMN
2O12: “Mycobacterium tuberculosis chorismate synthase in complex with FMN”. X-ray diffraction, 2 ligands (FMN, NA), 2 pockets (best druggability 0.72). MolNFT v1 #46322 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2O12
- Type
- protein
- Length
- 386 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chorismate synthase
- EC
- 4.2.3.5
- UniProt
- P63611
- Ligands
- FMN, NA
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chorismate synthase (EC 4.2.3.5) | protein | 386 | 38% helix, 19% strand | P63611 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- ACT · Acetate ion · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 450 | 0.72 | 0.82 | 50 | ACT, FMN |
| 2 | 64 | 0.30 | 0.75 | 19 | NA |
Compared structures
- 2O12 · Mycobacterium tuberculosis Chorismate synthase in complex with FMN · 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 P63611
- Elsewhere: RCSB PDB 2O12 · PDBe 2O12 · UniProt P63611
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