MolNFT v1 · #142556 · protein
Crystal structure of the C-terminal periplasmic domain of eceptc from escherichia COLI
6A82 · Phosphoethanolamine transferase eptc: “Crystal structure of the C-terminal periplasmic domain of eceptc from escherichia COLI”. X-ray diffraction, 1 ligand (NA), 17 pockets (best druggability 0.69). MolNFT v1 #142556 on GenesisL1…
- PDB
- 6A82
- Type
- protein
- Length
- 1,063 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoethanolamine transferase eptc
- EC
- 2.7.-.-
- UniProt
- P0CB39
- Ligands
- NA
- Pockets
- 17 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Phosphoethanolamine transferase eptc (EC 2.7.-.-) | protein | 353 | 32% helix, 17% strand | P0CB39 |
| B | Phosphoethanolamine transferase eptc (EC 2.7.-.-) | protein | 357 | 32% helix, 17% strand | P0CB39 |
Ligands and binding sites
- NA · Sodium ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 358 | 0.69 | 0.82 | 30 | empty |
| 2 | 518 | 0.65 | 0.77 | 44 | empty |
| 3 | 111 | 0.59 | 0.86 | 19 | empty |
| 4 | 315 | 0.53 | 0.74 | 36 | empty |
| 5 | 53 | 0.52 | 0.88 | 18 | empty |
Interfaces
2 interfaces between chains.
- B–C · 480 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 297 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 6A82 · Crystal structure of the C-terminal periplasmic domain of EcEptC from Escherichia coli · the same entry in another collection · chain A against A, TM-score 1.00
- P0CB39 · AlphaFold monomer V2.0 prediction for phosphoethanolamine transferase eptc (P0CB39) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P0CB39
- Elsewhere: RCSB PDB 6A82 · PDBe 6A82 · UniProt P0CB39
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