MolNFT v1 · #169465 · protein
Erythromycin esterase mutant erec H289N in its open conformation
6XCS: “Erythromycin esterase mutant erec H289N in its open conformation”. X-ray diffraction, 9 pockets (best druggability 0.74). MolNFT v1 #169465 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6XCS
- Type
- protein
- Length
- 816 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Erec
- UniProt
- C7C425
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Erec | protein | 408 | 48% helix, 15% strand | C7C425 |
| B | Erec | protein | 408 | 48% helix, 15% strand | C7C425 |
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 573 | 0.74 | 0.81 | 42 | empty |
| 2 | 63 | 0.70 | 0.96 | 23 | empty |
| 3 | 582 | 0.70 | 0.79 | 41 | empty |
| 4 | 622 | 0.64 | 0.75 | 56 | empty |
| 5 | 225 | 0.51 | 0.76 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1538 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified, 2 disulfide (engineered, disulfide).
Compared structures
- 6XCS · Erythromycin esterase mutant EreC H289N in its open conformation · 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 C7C425
- Elsewhere: RCSB PDB 6XCS · PDBe 6XCS · UniProt C7C425
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