MolNFT v1 · #92922 · protein

Mouse SMP30/GNL

4GN7 · Regucalcin: “Mouse SMP30/GNL”. X-ray diffraction, 2 ligands (CA, SO4), 6 pockets (best druggability 0.78). MolNFT v1 #92922 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4GN7
Type: protein
Length: 594 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Regucalcin
EC: 3.1.1.17
UniProt: Q64374
Ligands: CA, SO4
Pockets: 6 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 56% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Regucalcin (EC 3.1.1.17)	protein	297	7% helix, 56% strand	Q64374

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A, B
SO4 · Sulfate ion · ion · 13 copies · chains A, B

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

Pockets

6 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	113	0.78	0.98	31	empty
2	119	0.78	0.97	31	empty
3	83	0.74	0.97	18	empty
4	519	0.73	0.82	59	SO4
5	160	0.52	0.79	38	empty

Interfaces

1 interface between chains.

A–B · 888 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

4GN7 · mouse SMP30/GNL · the same entry in another collection · chain A against A, TM-score 1.00
Q64374 · AlphaFold monomer V2.0 prediction for regucalcin (Q64374) · 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 Q64374
Elsewhere: RCSB PDB 4GN7 · PDBe 4GN7 · UniProt Q64374

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