Research workbench
Crystal structure of inactive mutant of leaf-branch compost cutinase variant
Analyse Crystal structure of inactive mutant of leaf-branch compost cutinase variant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7VVC
- Type
- protein
- Length
- 521 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Leaf-branch compost cutinase
- EC
- 3.1.1.74, 3.1.1.101
- UniProt
- G9BY57
- Ligands
- CA
- Pockets
- 2 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Leaf-branch compost cutinase (EC 3.1.1.74, 3.1.1.101) | protein | 258 | 33% helix, 23% strand | G9BY57 |
| B | Leaf-branch compost cutinase (EC 3.1.1.74, 3.1.1.101) | protein | 263 | 32% helix, 22% strand | G9BY57 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- ACY · Acetic acid · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
- ACT · Acetate ion · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 130 | 0.49 | 0.80 | 23 | empty |
| 2 | 69 | 0.29 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 730 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 7VVC · Crystal structure of inactive mutant of leaf-branch compost cutinase variant · the same entry in another collection · chain A against A, TM-score 1.00
- G9BY57 · AlphaFold monomer V2.0 prediction for leaf-branch compost cutinase (G9BY57) · a predicted model of the same protein · 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 G9BY57
- Elsewhere: RCSB PDB 7VVC · PDBe 7VVC · UniProt G9BY57
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