MolNFT v1 · #110793 · protein
ALPHA/BETA hydrolase fold protein from nakamurella multipartita
4Y7D: “ALPHA/BETA hydrolase fold protein from nakamurella multipartita”. X-ray diffraction, 2 ligands (NA, CL), 3 pockets (best druggability 0.74). MolNFT v1 #110793 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4Y7D
- Type
- protein
- Length
- 577 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALPHA/BETA hydrolase fold protein
- UniProt
- C8X7A4
- Ligands
- NA, CL
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALPHA/BETA hydrolase fold protein | protein | 289 | 51% helix, 17% strand | C8X7A4 |
| B | ALPHA/BETA hydrolase fold protein | protein | 288 | 51% helix, 16% strand | C8X7A4 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 316 | 0.74 | 0.86 | 41 | empty |
| 2 | 310 | 0.71 | 0.84 | 41 | empty |
| 3 | 65 | 0.42 | 0.81 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 453 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 4Y7D · Alpha/beta hydrolase fold protein from Nakamurella multipartita · 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 C8X7A4
- Elsewhere: RCSB PDB 4Y7D · PDBe 4Y7D · UniProt C8X7A4
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