Research workbench
Crystal structure of the catalytic cys to ala mutant of VCHSP31 from vibrio cholerae
Analyse Crystal structure of the catalytic cys to ala mutant of VCHSP31 from vibrio… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4I4N
- Type
- protein
- Length
- 1,686 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Intracellular PROTEASE/AMIDASE
- UniProt
- A5F0Q0
- Pockets
- 12 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Intracellular PROTEASE/AMIDASE | protein | 281 | 39% helix, 17% strand | A5F0Q0 |
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 927 | 0.76 | 0.79 | 100 | empty |
| 2 | 546 | 0.64 | 0.76 | 62 | empty |
| 3 | 434 | 0.62 | 0.76 | 55 | empty |
| 4 | 128 | 0.54 | 0.82 | 26 | empty |
| 5 | 118 | 0.54 | 0.82 | 25 | empty |
Interfaces
6 interfaces between chains.
- C–D · 1096 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1085 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 479 Ų buried · 8 hydrogen bonds · protein-protein
- E–F · 169 Ų buried · 5 hydrogen bonds · protein-protein
- B–F · 96 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4I4N · Crystal Structure of the catalytic Cys to Ala mutant of VcHsp31 from Vibrio cholerae · 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 A5F0Q0
- Elsewhere: RCSB PDB 4I4N · PDBe 4I4N · UniProt A5F0Q0
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