MolNFT v1 · #70015 · protein
Crystal structure of SMU.1112C
3L7T · Putative uncharacterized protein: “Crystal structure of SMU.1112C”. X-ray diffraction, 1 ligand (ZN), 9 pockets (best druggability 0.75). MolNFT v1 #70015 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3L7T
- Type
- protein
- Length
- 532 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein
- UniProt
- Q8DU42
- Ligands
- ZN
- Pockets
- 9 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Putative uncharacterized protein | protein | 133 | 17% helix, 39% strand | Q8DU42 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, D, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 77 | 0.75 | 0.98 | 20 | empty |
| 2 | 74 | 0.73 | 0.97 | 19 | empty |
| 3 | 442 | 0.66 | 0.78 | 39 | ZN |
| 4 | 332 | 0.64 | 0.80 | 44 | ZN |
| 5 | 255 | 0.62 | 0.81 | 38 | empty |
Interfaces
6 interfaces between chains.
- A–D · 2713 Ų buried · 33 hydrogen bonds · protein-protein
- B–C · 2699 Ų buried · 31 hydrogen bonds · protein-protein
- C–D · 305 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 240 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 158 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3L7T · Crystal structure of SMU.1112c · 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 Q8DU42
- Elsewhere: RCSB PDB 3L7T · PDBe 3L7T · UniProt Q8DU42
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