MolNFT v1 · #98198 · protein

Crystal structure of cimex nitrophorin F64V mutant ferrous no complex

4L21 · Salivary nitrophorin: “Crystal structure of cimex nitrophorin F64V mutant ferrous no complex”. X-ray diffraction, 2 ligands (HEM, NO), 2 pockets (best druggability 0.74). MolNFT v1 #98198 on GenesisL1: 3D structure, binding sites…

PDB: 4L21
Type: protein
Length: 280 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Salivary nitrophorin
UniProt: O76745
Ligands: HEM, NO
Pockets: 2 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Salivary nitrophorin	protein	280	15% helix, 34% strand	O76745

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
NO · Nitric oxide · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	292	0.74	0.87	36	HEM, NO
2	89	0.33	0.74	18	empty

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

4L21 · Crystal structure of Cimex nitrophorin F64V mutant ferrous NO complex · the same entry in another collection · chain A against A, TM-score 1.00
O76745 · AlphaFold monomer V2.0 prediction for nitrophorin cim L np (O76745) · 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 O76745
Elsewhere: RCSB PDB 4L21 · PDBe 4L21 · UniProt O76745

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