MolNFT v1 · #68851 · protein
Complex of trypanosoma cruzi ribose 5-phosphate isomerase type B with 4-deoxy-4-phospho-D-erythronohydroxamic acid
3K8C: “Complex of trypanosoma cruzi ribose 5-phosphate isomerase type B with 4-deoxy-4-phospho-D-erythronohydroxamic…”. X-ray diffraction, 1 ligand (RES), 3 pockets (best druggability 0.55). MolNFT v1 #68851 on GenesisL1: 3D structure…
- PDB
- 3K8C
- Type
- protein
- Length
- 303 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribose 5-phosphate isomerase
- EC
- 5.3.1.6
- UniProt
- A1BTJ7
- Ligands
- RES
- Pockets
- 3 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribose 5-phosphate isomerase (EC 5.3.1.6) | protein | 152 | 47% helix, 17% strand | A1BTJ7 |
| B | Ribose 5-phosphate isomerase (EC 5.3.1.6) | protein | 151 | 48% helix, 17% strand | A1BTJ7 |
Ligands and binding sites
- RES · 4-phospho-D-erythronohydroxamic 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 50 | 0.55 | 0.90 | 17 | RES |
| 2 | 89 | 0.50 | 0.83 | 17 | RES |
| 3 | 54 | 0.40 | 0.82 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1845 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 3K8C · Complex of Trypanosoma cruzi ribose 5-phosphate isomerase type B 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 A1BTJ7
- Elsewhere: RCSB PDB 3K8C · PDBe 3K8C · UniProt A1BTJ7
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