MolNFT v1 · #144541 · protein
LARC2, the C-terminal domain of a cyclometallase involved in the synthesis of the npn cofactor of lactate racemase, in complex with nickel
6BWR · Pyridinium-3,5-bisthiocarboxylic acid mononucleotide nickel…: “LARC2, the C-terminal domain of a cyclometallase involved in the synthesis of the npn cofactor of lactate…”. X-ray diffraction, 1 ligand (NI), 1 pocket (best…
- PDB
- 6BWR
- Type
- protein
- Length
- 288 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyridinium-3,5-bisthiocarboxylic acid mononucleotide nickel insertion protein
- UniProt
- F9UST1
- Ligands
- NI
- Pockets
- 1 · best druggability 0.35
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Pyridinium-3,5-bisthiocarboxylic acid mononucleotide nickel insertion protein | protein | 144 | 33% helix, 44% strand | F9UST1 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 65 | 0.35 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 746 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6BWR · LarC2, the C-terminal domain of a cyclometallase involved in the synthesis of the NPN… · the same entry in another collection · chain A against A, TM-score 1.00
- F9UST1 · AlphaFold monomer V2.0 prediction for pyridinium-3,5-bisthiocarboxylic acid… · a predicted model of the same protein · chain A against A, TM-score 0.90
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 F9UST1
- Elsewhere: RCSB PDB 6BWR · PDBe 6BWR · UniProt F9UST1
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