MolNFT v1 · #103698 · protein
Structure of triosephosphate isomerase I170V mutant human enzyme.
4POD: “Structure of triosephosphate isomerase I170V mutant human enzyme.”. X-ray diffraction, 4 ligands (K, NA, PO4), 3 pockets (best druggability 0.69). MolNFT v1 #103698 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4POD
- Type
- protein
- Length
- 490 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase
- EC
- 5.3.1.1
- UniProt
- P60174
- Ligands
- K, NA, PO4, BR
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Triosephosphate isomerase (EC 5.3.1.1) | protein | 245 | 46% helix, 16% strand | P60174 |
| B | Triosephosphate isomerase (EC 5.3.1.1) | protein | 245 | 45% helix, 17% strand | P60174 |
Ligands and binding sites
- K · Potassium ion · metal · 2 copies · chains A, B
- NA · Sodium ion · metal · chains A
- PO4 · Phosphate ion · ion · chains B
- BR · Bromide ion · ion · chains 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.69 | 0.98 | 16 | empty |
| 2 | 120 | 0.42 | 0.76 | 23 | empty |
| 3 | 54 | 0.33 | 0.78 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1780 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
- 4POD · Structure of Triosephosphate Isomerase I170V mutant human enzyme. · the same entry in another collection · chain A against A, TM-score 1.00
- P60174 · AlphaFold monomer V2.0 prediction for triosephosphate isomerase (P60174) · a predicted model of the same protein · chain B 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 P60174
- Elsewhere: RCSB PDB 4POD · PDBe 4POD · UniProt P60174
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