MolNFT v1 · #40884 · protein
Structure of as-sb reductase from leishmania major
2J6P · SB(V)-AS(V) reductase: “Structure of as-sb reductase from leishmania major”. X-ray diffraction, 1 ligand (SO4), 17 pockets (best druggability 0.83). MolNFT v1 #40884 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2J6P
- Type
- protein
- Length
- 870 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SB(V)-AS(V) reductase
- UniProt
- Q6Q1Q5
- Ligands
- SO4
- Pockets
- 17 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | SB(V)-AS(V) reductase | protein | 145 | 46% helix, 20% strand | Q6Q1Q5 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 9 copies · chains A, E, B, C, D, F
- GOL · Glycerol · additive · 6 copies · chains A, C, B, D, F, E
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 4 copies · chains A, B, C, E, D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 598 | 0.83 | 0.88 | 101 | EPE, SO4, GOL |
| 2 | 290 | 0.74 | 0.87 | 43 | EPE |
| 3 | 249 | 0.70 | 0.85 | 36 | GOL |
| 4 | 323 | 0.66 | 0.81 | 41 | SO4 |
| 5 | 79 | 0.51 | 0.84 | 19 | SO4 |
Interfaces
10 interfaces between chains.
- A–B · 838 Ų buried · 7 hydrogen bonds · protein-protein
- D–F · 796 Ų buried · 8 hydrogen bonds · protein-protein
- C–E · 735 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 406 Ų buried · 4 hydrogen bonds · protein-protein
- B–F · 402 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 2J6P · Structure of as-sb reductase from leishmania major · 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 Q6Q1Q5
- Elsewhere: RCSB PDB 2J6P · PDBe 2J6P · UniProt Q6Q1Q5
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