Research workbench
P113S mutant of E. COLI cystathionine beta-lyase metc
Analyse P113S mutant of E. COLI cystathionine beta-lyase metc in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ITG
- Type
- protein
- Length
- 783 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cystathionine beta-lyase metc
- EC
- 4.4.1.8
- UniProt
- P06721
- Pockets
- 7 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cystathionine beta-lyase metc (EC 4.4.1.8) | protein | 391 | 40% helix, 16% strand | P06721 |
| B | Cystathionine beta-lyase metc (EC 4.4.1.8) | protein | 392 | 42% helix, 16% strand | P06721 |
Ligands and binding sites
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 151 | 0.67 | 0.88 | 27 | empty |
| 2 | 155 | 0.65 | 0.86 | 26 | empty |
| 3 | 54 | 0.44 | 0.84 | 17 | empty |
| 4 | 102 | 0.43 | 0.78 | 20 | EPE |
| 5 | 98 | 0.42 | 0.78 | 21 | EPE |
Interfaces
1 interface between chains.
- A–B · 773 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (cofactor).
Compared structures
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 P06721
- Elsewhere: RCSB PDB 4ITG · PDBe 4ITG · UniProt P06721
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