MolNFT v1 · #176912 · protein

Crystal structure of PR55GAG-matrix domain in complex with IP6 in space group R32

7E1K · Capsid protein P24: “Crystal structure of PR55GAG-matrix domain in complex with IP6 in space group R32”. X-ray diffraction, 1 ligand (IHP), 3 pockets (best druggability 0.56). MolNFT v1 #176912 on GenesisL1: 3D structure, binding…

PDB: 7E1K
Type: protein
Length: 242 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Capsid protein P24
UniProt: T2CJ20
Ligands: IHP
Pockets: 3 · best druggability 0.56

Structure

x-ray diffraction · 2 distinct chains · 67% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Capsid protein P24	protein	121	66% helix, 2% strand	T2CJ20
B	Capsid protein P24	protein	121	67% helix, 2% strand	T2CJ20

Ligands and binding sites

IHP · Inositol hexakisphosphate · ligand · 2 copies · chains A, B

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	300	0.56	0.76	28	empty
2	315	0.55	0.75	32	empty
3	53	0.32	0.77	11	empty

Interfaces

1 interface between chains.

A–B · 581 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

7E1K · Crystal structure of Pr55Gag-matrix domain in complex with IP6 in space group R32 · 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 T2CJ20
Elsewhere: RCSB PDB 7E1K · PDBe 7E1K · UniProt T2CJ20

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