MolNFT v1 · #101586 · protein
Crystal structure of triosephosphate isomerase from brucella melitensis
4NVT: “Crystal structure of triosephosphate isomerase from brucella melitensis”. X-ray diffraction, 8 pockets (best druggability 0.75). MolNFT v1 #101586 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4NVT
- Type
- protein
- Length
- 989 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase
- EC
- 5.3.1.1
- UniProt
- C0RJA8
- Pockets
- 8 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Triosephosphate isomerase (EC 5.3.1.1) | protein | 249 | 45% helix, 15% strand | C0RJA8 |
| B | Triosephosphate isomerase (EC 5.3.1.1) | protein | 248 | 44% helix, 16% strand | C0RJA8 |
| C, D | Triosephosphate isomerase (EC 5.3.1.1) | protein | 246 | 44% helix, 15% strand | C0RJA8 |
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 911 | 0.75 | 0.79 | 92 | empty |
| 2 | 202 | 0.69 | 0.87 | 44 | empty |
| 3 | 146 | 0.68 | 0.89 | 36 | empty |
| 4 | 147 | 0.50 | 0.79 | 26 | empty |
| 5 | 121 | 0.48 | 0.80 | 16 | empty |
Interfaces
5 interfaces between chains.
- B–C · 1612 Ų buried · 34 hydrogen bonds · protein-protein
- A–D · 1599 Ų buried · 41 hydrogen bonds · protein-protein
- A–B · 313 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 176 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 151 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4NVT · Crystal Structure of Triosephosphate Isomerase from Brucella melitensis · 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 C0RJA8
- Elsewhere: RCSB PDB 4NVT · PDBe 4NVT · UniProt C0RJA8
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