MolNFT v1 · #97901 · protein
Crystal structure of vibrio cholerae ATPase gspse hexamer
4KSS · Type II secretion system protein E, hemolysin-coregulated…: “Crystal structure of vibrio cholerae ATPase gspse hexamer”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #97901 on GenesisL1: 3D structure, binding…
- PDB
- 4KSS
- Type
- protein
- Length
- 3,126 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type II secretion system protein E, hemolysin-coregulated protein
- UniProt
- P37093, Q02UZ4
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Type II secretion system protein E, hemolysin-coregulated protein | protein | 521 | 29% helix, 36% strand | P37093, Q02UZ4 |
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1018 | 0.82 | 0.83 | 99 | empty |
| 2 | 1015 | 0.81 | 0.82 | 88 | empty |
| 3 | 976 | 0.81 | 0.82 | 77 | empty |
| 4 | 980 | 0.81 | 0.82 | 76 | empty |
| 5 | 981 | 0.80 | 0.82 | 78 | empty |
Interfaces
6 interfaces between chains.
- E–F · 3110 Ų buried · 51 hydrogen bonds · protein-protein
- C–D · 3107 Ų buried · 61 hydrogen bonds · protein-protein
- A–F · 3084 Ų buried · 50 hydrogen bonds · protein-protein
- A–B · 3075 Ų buried · 48 hydrogen bonds · protein-protein
- B–C · 3048 Ų buried · 50 hydrogen bonds · protein-protein
Compared structures
- 4KSS · Crystal Structure of Vibrio cholerae ATPase GspsE Hexamer · the same entry in another collection · chain C against C, TM-score 1.00
- P37093 · AlphaFold monomer V2.0 prediction for type II secretion system ATPase E (P37093) · a predicted model of the same protein · chain A against A, TM-score 0.65
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 P37093
- Every structure of UniProt Q02UZ4
- Elsewhere: RCSB PDB 4KSS · PDBe 4KSS · UniProt P37093 · UniProt Q02UZ4
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