MolNFT v1 · #65695 · protein
MET94THR/PHE312CYS variant of nitrite reductase from alcaligenes faecalis
3H4H · Copper-containing nitrite reductase: “MET94THR/PHE312CYS variant of nitrite reductase from alcaligenes faecalis”. X-ray diffraction, 1 ligand (CU), 12 pockets (best druggability 0.84). MolNFT v1 #65695 on GenesisL1: 3D structure…
- PDB
- 3H4H
- Type
- protein
- Length
- 1,005 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Copper-containing nitrite reductase
- EC
- 1.7.2.1
- UniProt
- P38501
- Ligands
- CU
- Pockets
- 12 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Copper-containing nitrite reductase (EC 1.7.2.1) | protein | 335 | 13% helix, 41% strand | P38501 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 6 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 257 | 0.84 | 0.96 | 29 | empty |
| 2 | 533 | 0.80 | 0.86 | 58 | empty |
| 3 | 61 | 0.72 | 0.98 | 17 | empty |
| 4 | 59 | 0.70 | 0.97 | 18 | empty |
| 5 | 69 | 0.54 | 0.87 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2114 Ų buried · 37 hydrogen bonds · protein-protein
- B–C · 2106 Ų buried · 36 hydrogen bonds · protein-protein
- A–C · 2096 Ų buried · 35 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (oxidation).
Compared structures
- 3H4H · Met94Thr/Phe312Cys variant of nitrite reductase from Alcaligenes faecalis · 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 P38501
- Elsewhere: RCSB PDB 3H4H · PDBe 3H4H · UniProt P38501
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