MolNFT v1 · #62867 · protein
Cut-1B; ncn-pt-pincer-cutinase hybrid
3ESA · Cutinase 1: “Cut-1B; ncn-pt-pincer-cutinase hybrid”. X-ray diffraction, 1 ligand (NXC), 1 pocket (best druggability 0.58). MolNFT v1 #62867 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3ESA
- Type
- protein
- Length
- 394 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cutinase 1
- EC
- 3.1.1.74
- UniProt
- P00590
- Ligands
- NXC
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cutinase 1 (EC 3.1.1.74) | protein | 196 | 44% helix, 15% strand | P00590 |
| B | Cutinase 1 (EC 3.1.1.74) | protein | 198 | 41% helix, 15% strand | P00590 |
Ligands and binding sites
- NXC · (2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+) · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 214 | 0.58 | 0.79 | 36 | NXC |
Interfaces
1 interface between chains.
- A–B · 310 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 2 covalent (disulfide, covalent ligand).
Compared structures
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 P00590
- Elsewhere: RCSB PDB 3ESA · PDBe 3ESA · UniProt P00590
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