MolNFT v1 · #40649 · protein
Shikimate kinase from mycobacterium tuberculosis in complex with shikimate-3-phosphate and SO4
2IYY: “Shikimate kinase from mycobacterium tuberculosis in complex with shikimate-3-phosphate and SO4”. X-ray diffraction, 5 ligands (S3P, MG, SO4), 1 pocket (best druggability 0.63). MolNFT v1 #40649 on GenesisL1: 3D structure, binding…
- PDB
- 2IYY
- Type
- protein
- Length
- 169 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Shikimate kinase
- EC
- 2.7.1.71
- UniProt
- P0A4Z2
- Ligands
- S3P, MG, SO4, CL, PO4
- Pockets
- 1 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Shikimate kinase (EC 2.7.1.71) | protein | 169 | 57% helix, 11% strand | P0A4Z2 |
Ligands and binding sites
- S3P · Shikimate-3-phosphate · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
- SO4 · Sulfate ion · ion · 7 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- PO4 · Phosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 286 | 0.63 | 0.80 | 38 | S3P, SO4, PO4 |
Compared structures
- 2IYY · Shikimate kinase from Mycobacterium tuberculosis in complex with shikimate-3-phosphate… · 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 P0A4Z2
- Elsewhere: RCSB PDB 2IYY · PDBe 2IYY · UniProt P0A4Z2
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