MolNFT v1 · #82347 · protein
Crystal structure of L-methionine gamma-lyase from pseudomonas putida C116H mutant complexed with L-methionine
3VK3: “Crystal structure of L-methionine gamma-lyase from pseudomonas putida C116H mutant complexed with L-methionine”. X-ray diffraction, 1 ligand (MET), 10 pockets (best druggability 0.81). MolNFT v1 #82347 on GenesisL1: 3D structure…
- PDB
- 3VK3
- Type
- protein
- Length
- 1,573 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methionine gamma-lyase
- EC
- 4.4.1.11
- UniProt
- P13254
- Ligands
- MET
- Pockets
- 10 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methionine gamma-lyase (EC 4.4.1.11) | protein | 397 | 41% helix, 17% strand | P13254 |
| B, C, D | Methionine gamma-lyase (EC 4.4.1.11) | protein | 392 | 43% helix, 17% strand | P13254 |
Ligands and binding sites
- MET · Methionine · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 267 | 0.81 | 0.92 | 44 | empty |
| 2 | 378 | 0.78 | 0.88 | 67 | empty |
| 3 | 592 | 0.74 | 0.81 | 58 | MET |
| 4 | 464 | 0.72 | 0.82 | 48 | MET |
| 5 | 512 | 0.71 | 0.80 | 58 | MET |
Interfaces
6 interfaces between chains.
- C–D · 2731 Ų buried · 48 hydrogen bonds · protein-protein
- A–B · 2689 Ų buried · 50 hydrogen bonds · protein-protein
- A–D · 1614 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 1557 Ų buried · 23 hydrogen bonds · protein-protein
- B–D · 761 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (cofactor).
Compared structures
- 3VK3 · Crystal Structure of L-Methionine gamma-Lyase from Pseudomonas putida C116H Mutant… · the same entry in another collection · chain D against D, TM-score 1.00
- P13254 · AlphaFold monomer V2.0 prediction for L-methionine gamma-lyase (P13254) · a predicted model of the same protein · chain B 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 P13254
- Elsewhere: RCSB PDB 3VK3 · PDBe 3VK3 · UniProt P13254
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