MolNFT v1 · #75099 · protein

Crystal structure of the H. sapiens NF1 sec-pH domain (DEL1750 mutant)

3PG7 · Neurofibromin: “Crystal structure of the H. sapiens NF1 sec-pH domain (DEL1750 mutant)”. X-ray diffraction, 2 ligands (PTY, POP), 7 pockets (best druggability 0.87). MolNFT v1 #75099 on GenesisL1: 3D structure, binding sites and…

PDB: 3PG7
Type: protein
Length: 512 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Neurofibromin
UniProt: P21359
Ligands: PTY, POP
Pockets: 7 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Neurofibromin	protein	256	30% helix, 32% strand	P21359

Ligands and binding sites

PTY · Phosphatidylethanolamine · ligand · 2 copies · chains A, B
POP · Pyrophosphate 2- · ligand · 2 copies · chains B

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

Pockets

7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	570	0.87	0.91	35	PTY
2	556	0.86	0.91	36	PTY
3	175	0.59	0.82	37	empty
4	231	0.52	0.77	36	empty
5	80	0.52	0.85	17	empty

Interfaces

1 interface between chains.

A–B · 675 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

3PG7 · Crystal structure of the H. sapiens NF1 SEC-PH domain (del1750 mutant) · 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 P21359
Elsewhere: RCSB PDB 3PG7 · PDBe 3PG7 · UniProt P21359

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