MolNFT v1 · #175888 · protein

Spua native structure

7D4R · Probable glutamine amidotransferase: “Spua native structure”. X-ray diffraction, 1 ligand (MG), 4 pockets (best druggability 0.54). MolNFT v1 #175888 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7D4R
Type: protein
Length: 452 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Probable glutamine amidotransferase
UniProt: Q9I6J4
Ligands: MG
Pockets: 4 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Probable glutamine amidotransferase	protein	237	33% helix, 26% strand	Q9I6J4
B	Probable glutamine amidotransferase	protein	215	32% helix, 27% strand	Q9I6J4

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

4 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	237	0.54	0.77	31	empty
2	184	0.54	0.79	37	empty
3	123	0.43	0.76	21	empty
4	51	0.27	0.74	13	empty

Interfaces

1 interface between chains.

A–B · 1661 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

7D4R · SpuA native structure · 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 Q9I6J4
Elsewhere: RCSB PDB 7D4R · PDBe 7D4R · UniProt Q9I6J4

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