MolNFT v1 · #97242 · protein
Crystal structure of the C136(42)A/C141(47)A double mutant of TN501 mera in complex with NADP and HG2+
4K7Z · Mercuric reductase: “Crystal structure of the C136(42)A/C141(47)A double mutant of TN501 mera in complex with NADP and HG2+”. X-ray diffraction, 5 ligands (FAD, NAP, HG), 3 pockets (best druggability 0.78). MolNFT v1 #97242 on…
- PDB
- 4K7Z
- Type
- protein
- Length
- 467 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mercuric reductase
- EC
- 1.16.1.1
- UniProt
- P00392
- Ligands
- FAD, NAP, HG, UNX, SO4
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mercuric reductase (EC 1.16.1.1) | protein | 467 | 33% helix, 26% strand | P00392 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- HG · Mercury (II) ion · metal · chains A
- UNX · Unknown atom or ion · ion · 16 copies · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1081 | 0.78 | 0.80 | 113 | FAD, NAP, SO4, UNX |
| 2 | 209 | 0.52 | 0.77 | 30 | GOL |
| 3 | 53 | 0.26 | 0.73 | 15 | empty |
Compared structures
- 4K7Z · Crystal structure of the C136(42)A/C141(47)A double mutant of Tn501 MerA in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P00392 · AlphaFold monomer V2.0 prediction for mercuric reductase (P00392) · a predicted model of the same protein · 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 P00392
- Elsewhere: RCSB PDB 4K7Z · PDBe 4K7Z · UniProt P00392
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