MolNFT v1 · #13221 · protein
Crystal structure of shikimate kinase from mycobacterium tuberculosis in complex with mgadp and PT(II) at 1.8 ångström resolution
1L4U: “Crystal structure of shikimate kinase from mycobacterium tuberculosis in complex with mgadp and PT(II) at 1.8…”. X-ray diffraction, 4 ligands (ADP, PT, MG), 1 pocket (best druggability 0.61). MolNFT v1 #13221 on GenesisL1: 3D…
- PDB
- 1L4U
- Type
- protein
- Length
- 165 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
- ADP, PT, MG, CL
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Shikimate kinase (EC 2.7.1.71) | protein | 165 | 58% helix, 12% strand | P0A4Z2 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- PT · Platinum (II) ion · metal · chains A
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · 6 copies · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 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 | 268 | 0.61 | 0.80 | 35 | MG, CL, ADP |
Compared structures
- 1L4U · Crystal structure of shikimate kinase from mycobacterium tuberculosis in complex with… · 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 1L4U · PDBe 1L4U · UniProt P0A4Z2
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