MolNFT v1 · #188241 · protein
Structure of the triosephosphate isomerase- phosphoglycolohydroxamate complex: an analogue of the intermediate on the reaction pathway
7TIM: “Structure of the triosephosphate isomerase- phosphoglycolohydroxamate complex: an analogue of the…”. X-ray diffraction, 1 ligand (PGH), 3 pockets (best druggability 0.44). MolNFT v1 #188241 on GenesisL1: 3D structure, binding sites…
- PDB
- 7TIM
- Type
- protein
- Length
- 494 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase
- EC
- 5.3.1.1
- UniProt
- P00942
- Ligands
- PGH
- Pockets
- 3 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Triosephosphate isomerase (EC 5.3.1.1) | protein | 247 | 45% helix, 17% strand | P00942 |
Ligands and binding sites
- PGH · Phosphoglycolohydroxamic acid · ligand · 2 copies · chains A, 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 64 | 0.44 | 0.82 | 20 | empty |
| 2 | 64 | 0.40 | 0.80 | 25 | PGH |
| 3 | 52 | 0.39 | 0.81 | 20 | PGH |
Interfaces
1 interface between chains.
- A–B · 1707 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 7TIM · Structure of the triosephosphate isomerase-phosphoglycolohydroxamate complex: an analogue… · the same entry in another collection · chain A against A, TM-score 1.00
- P00942 · AlphaFold monomer V2.0 prediction for triosephosphate isomerase (P00942) · a predicted model of the same protein · 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 P00942
- Elsewhere: RCSB PDB 7TIM · PDBe 7TIM · UniProt P00942
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