MolNFT v1 · #135938 · protein
Lare, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with zinc
5UDX · Lactate racemization operon protein lare: “Lare, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with zinc”. X-ray diffraction, 3 ligands (ZN, SO4, PO4), 17 pockets (best druggability…
- PDB
- 5UDX
- Type
- protein
- Length
- 1,471 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lactate racemization operon protein lare
- UniProt
- F9UST4
- Ligands
- ZN, SO4, PO4
- Pockets
- 17 · best druggability 0.81
Structure
x-ray diffraction · 6 distinct chains · 52% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lactate racemization operon protein lare | protein | 248 | 52% helix, 15% strand | F9UST4 |
| B | Lactate racemization operon protein lare | protein | 242 | 52% helix, 16% strand | F9UST4 |
| C | Lactate racemization operon protein lare | protein | 250 | 51% helix, 14% strand | F9UST4 |
| D | Lactate racemization operon protein lare | protein | 240 | 52% helix, 15% strand | F9UST4 |
| E | Lactate racemization operon protein lare | protein | 241 | 51% helix, 16% strand | F9UST4 |
| F | Lactate racemization operon protein lare | protein | 250 | 51% helix, 15% strand | F9UST4 |
Ligands and binding sites
- ZN · Zinc ion · metal · 6 copies · chains A, B, C, D, E, F
- SO4 · Sulfate ion · ion · 10 copies · chains A, B, C, D, E, F
- PO4 · Phosphate ion · ion · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 171 | 0.81 | 0.96 | 33 | empty |
| 2 | 498 | 0.72 | 0.81 | 58 | SO4 |
| 3 | 553 | 0.67 | 0.77 | 67 | SO4 |
| 4 | 530 | 0.67 | 0.78 | 51 | SO4 |
| 5 | 528 | 0.67 | 0.78 | 53 | SO4 |
Interfaces
12 interfaces between chains.
- B–D · 895 Ų buried · 6 hydrogen bonds · protein-protein
- C–E · 868 Ų buried · 8 hydrogen bonds · protein-protein
- A–F · 861 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 607 Ų buried · 11 hydrogen bonds · protein-protein
- D–F · 594 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 5UDX · LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in… · the same entry in another collection · chain F against F, TM-score 1.00
- F9UST4 · AlphaFold monomer V2.0 prediction for pyridinium-3,5-bisthiocarboxylic acid… · a predicted model of the same protein · chain E 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 F9UST4
- Elsewhere: RCSB PDB 5UDX · PDBe 5UDX · UniProt F9UST4
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