MolNFT v1 · #31381 · protein
0.96 a crystal structure of nitrophorin 4 from rhodnius prolixus containing FE(III) 2,4 dimethyl deuteroporphyrin IX complexed with nitric oxide at pH 5.6
2AT8: “0.96 a crystal structure of nitrophorin 4 from rhodnius prolixus containing FE(III) 2,4 dimethyl…”. X-ray diffraction, 3 ligands (FDD, PO4, NO), 1 pocket (best druggability 0.76). MolNFT v1 #31381 on GenesisL1: 3D structure, binding…
- PDB
- 2AT8
- Type
- protein
- Length
- 184 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitrophorin 4
- UniProt
- Q94734
- Ligands
- FDD, PO4, NO
- Pockets
- 1 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Nitrophorin 4 | protein | 184 | 14% helix, 47% strand | Q94734 |
Ligands and binding sites
- FDD · Fe(iii) 2,4-dimethyl deuteroporphyrin IX · ligand · chains X
- PO4 · Phosphate ion · ion · chains X
- NO · Nitric oxide · ion · chains X
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 294 | 0.76 | 0.87 | 39 | FDD, NO |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2AT8 · 0.96 A Crystal Structure Of Nitrophorin 4 From Rhodnius Prolixus Containing Fe(III) 2,4… · the same entry in another collection · chain X against X, TM-score 1.00
- Q94734 · AlphaFold monomer V2.0 prediction for nitrophorin-4 (Q94734) · a predicted model of the same protein · chain X against A, TM-score 0.99
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 Q94734
- Elsewhere: RCSB PDB 2AT8 · PDBe 2AT8 · UniProt Q94734
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