MolNFT v1 · #158560 · protein
Crystal structure of arabidopsis thaliana cytosolic triosephosphate isomerase C218S mutant
6NXW · Triosephosphate isomerase, cytosolic: “Crystal structure of arabidopsis thaliana cytosolic triosephosphate isomerase C218S mutant”. X-ray diffraction, 10 pockets (best druggability 0.58). MolNFT v1 #158560 on GenesisL1: 3D…
- PDB
- 6NXW
- Type
- protein
- Length
- 996 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase, cytosolic
- EC
- 5.3.1.1
- UniProt
- P48491
- Pockets
- 10 · best druggability 0.58
Structure
x-ray diffraction · 3 distinct chains · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Triosephosphate isomerase, cytosolic (EC 5.3.1.1) | protein | 250 | 46% helix, 15% strand | P48491 |
| B | Triosephosphate isomerase, cytosolic (EC 5.3.1.1) | protein | 244 | 45% helix, 16% strand | P48491 |
| C | Triosephosphate isomerase, cytosolic (EC 5.3.1.1) | protein | 252 | 44% helix, 15% strand | P48491 |
Pockets
10 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 532 | 0.58 | 0.73 | 66 | empty |
| 2 | 209 | 0.47 | 0.74 | 34 | empty |
| 3 | 134 | 0.47 | 0.78 | 31 | empty |
| 4 | 121 | 0.43 | 0.77 | 32 | empty |
| 5 | 85 | 0.40 | 0.78 | 15 | empty |
Interfaces
4 interfaces between chains.
- B–D · 1478 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 572 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 100 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 37 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6NXW · Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C218S mutant · the same entry in another collection · chain A against A, TM-score 1.00
- P48491 · AlphaFold monomer V2.0 prediction for triosephosphate isomerase, cytosolic (P48491) · 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 P48491
- Elsewhere: RCSB PDB 6NXW · PDBe 6NXW · UniProt P48491
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