MolNFT v1 · #97900 · protein
Crystal structure of the vibrio cholerae ATPase gspe hexamer
4KSR · Type II secretion system protein E, hemolysin-coregulated…: “Crystal structure of the vibrio cholerae ATPase gspe hexamer”. X-ray diffraction, 11 pockets (best druggability 0.78). MolNFT v1 #97900 on GenesisL1: 3D structure, binding…
- PDB
- 4KSR
- Type
- protein
- Length
- 1,563 residues
- Chains
- 3
- 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
- 11 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Type II secretion system protein E, hemolysin-coregulated protein | protein | 521 | 29% helix, 34% strand | P37093, Q02UZ4 |
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 958 | 0.78 | 0.80 | 74 | empty |
| 2 | 1181 | 0.75 | 0.78 | 81 | empty |
| 3 | 532 | 0.72 | 0.81 | 58 | empty |
| 4 | 237 | 0.55 | 0.77 | 39 | empty |
| 5 | 179 | 0.49 | 0.77 | 31 | empty |
Interfaces
2 interfaces between chains.
- B–C · 2859 Ų buried · 38 hydrogen bonds · protein-protein
- A–B · 2831 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 4KSR · Crystal Structure of the Vibrio cholerae ATPase GspE Hexamer · the same entry in another collection · chain A against A, 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 0.63
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 4KSR · PDBe 4KSR · UniProt P37093 · UniProt Q02UZ4
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