MolNFT v1 · #125839 · protein
Structure of isoleucine 2-epimerase from lactobacillus buchneri (apo form)
5LL2: “Structure of isoleucine 2-epimerase from lactobacillus buchneri (apo form)”. X-ray diffraction, 12 pockets (best druggability 0.82). MolNFT v1 #125839 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5LL2
- Type
- protein
- Length
- 1,630 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoleucine 2-epimerase
- EC
- 5.1.1.21
- UniProt
- M1GRN3
- Pockets
- 12 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isoleucine 2-epimerase (EC 5.1.1.21) | protein | 409 | 41% helix, 19% strand | M1GRN3 |
| B | Isoleucine 2-epimerase (EC 5.1.1.21) | protein | 409 | 38% helix, 19% strand | M1GRN3 |
| C | Isoleucine 2-epimerase (EC 5.1.1.21) | protein | 407 | 40% helix, 18% strand | M1GRN3 |
| D | Isoleucine 2-epimerase (EC 5.1.1.21) | protein | 405 | 41% helix, 18% strand | M1GRN3 |
Pockets
12 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 202 | 0.82 | 0.96 | 43 | empty |
| 2 | 205 | 0.82 | 0.96 | 45 | empty |
| 3 | 789 | 0.80 | 0.83 | 64 | empty |
| 4 | 1198 | 0.80 | 0.81 | 108 | empty |
| 5 | 745 | 0.73 | 0.79 | 68 | empty |
Interfaces
6 interfaces between chains.
- A–B · 3284 Ų buried · 33 hydrogen bonds · protein-protein
- C–D · 3094 Ų buried · 35 hydrogen bonds · protein-protein
- A–D · 1351 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 1347 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 111 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5LL2 · Structure of Isoleucine 2-epimerase from Lactobacillus buchneri (apo form) · the same entry in another collection · chain D against D, TM-score 1.00
- M1GRN3 · AlphaFold monomer V2.0 prediction for isoleucine 2-epimerase (M1GRN3) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 M1GRN3
- Elsewhere: RCSB PDB 5LL2 · PDBe 5LL2 · UniProt M1GRN3
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