MolNFT v1 · #166565 · protein
Lare, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with copper
6UTR · ATP-dependent sacrificial sulfur transferase lare: “Lare, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with copper”. X-ray diffraction, 3 ligands (CU, PO4, SO4), 20 pockets (best…
- PDB
- 6UTR
- Type
- protein
- Length
- 1,498 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-dependent sacrificial sulfur transferase lare
- UniProt
- A0A0G9FES3
- Ligands
- CU, PO4, SO4
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 6 distinct chains · 52% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-dependent sacrificial sulfur transferase lare | protein | 262 | 53% helix, 14% strand | A0A0G9FES3 |
| B | ATP-dependent sacrificial sulfur transferase lare | protein | 245 | 51% helix, 15% strand | A0A0G9FES3 |
| C | ATP-dependent sacrificial sulfur transferase lare | protein | 249 | 52% helix, 14% strand | A0A0G9FES3 |
| D | ATP-dependent sacrificial sulfur transferase lare | protein | 233 | 52% helix, 15% strand | A0A0G9FES3 |
| E | ATP-dependent sacrificial sulfur transferase lare | protein | 262 | 52% helix, 14% strand | A0A0G9FES3 |
| F | ATP-dependent sacrificial sulfur transferase lare | protein | 247 | 50% helix, 15% strand | A0A0G9FES3 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 2 copies · chains A, B, C, D, E, F
- PO4 · Phosphate ion · ion · 6 copies · chains A, B, C, D, E, F
- SO4 · Sulfate ion · ion · 5 copies · chains A, B, C, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 209 | 0.82 | 0.95 | 46 | empty |
| 2 | 703 | 0.70 | 0.77 | 66 | SO4 |
| 3 | 660 | 0.70 | 0.78 | 63 | SO4 |
| 4 | 513 | 0.66 | 0.77 | 58 | SO4 |
| 5 | 432 | 0.65 | 0.79 | 60 | empty |
Interfaces
13 interfaces between chains.
- C–E · 1173 Ų buried · 6 hydrogen bonds · protein-protein
- A–F · 1054 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 837 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 719 Ų buried · 10 hydrogen bonds · protein-protein
- E–F · 600 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 6UTR · LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in… · 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 A0A0G9FES3
- Elsewhere: RCSB PDB 6UTR · PDBe 6UTR · UniProt A0A0G9FES3
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