MolNFT v1 · #88098 · protein
Structure of the N-terminal domain of leishmania sas-6
4CKM: “Structure of the N-terminal domain of leishmania sas-6”. X-ray diffraction, 1 ligand (MG), 5 pockets (best druggability 0.53). MolNFT v1 #88098 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4CKM
- Type
- protein
- Length
- 425 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sas-6
- UniProt
- E9AFQ5
- Ligands
- MG
- Pockets
- 5 · best druggability 0.53
Structure
x-ray diffraction · 3 distinct chains · 18% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sas-6 | protein | 139 | 18% helix, 53% strand | E9AFQ5 |
| B | Sas-6 | protein | 144 | 17% helix, 53% strand | E9AFQ5 |
| C | Sas-6 | protein | 142 | 18% helix, 50% strand | E9AFQ5 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 210 | 0.53 | 0.78 | 26 | empty |
| 2 | 113 | 0.47 | 0.80 | 19 | empty |
| 3 | 152 | 0.43 | 0.75 | 26 | empty |
| 4 | 97 | 0.41 | 0.78 | 22 | empty |
| 5 | 52 | 0.33 | 0.78 | 12 | empty |
Interfaces
3 interfaces between chains.
- B–C · 943 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 708 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 78 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4CKM · Structure of the N-terminal domain of Leishmania SAS-6 · 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 E9AFQ5
- Elsewhere: RCSB PDB 4CKM · PDBe 4CKM · UniProt E9AFQ5
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