MolNFT v1 · #92926 · protein

Human SMP30/GNL

4GNB · Regucalcin: “Human SMP30/GNL”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.78). MolNFT v1 #92926 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4GNB
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: Q15493
Ligands: CA
Pockets: 3 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 56% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Regucalcin (EC 3.1.1.17)	protein	297	5% helix, 56% strand	Q15493

Ligands and binding sites

CA · Calcium ion · metal · 3 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	101	0.78	0.98	26	empty
2	94	0.77	0.98	25	empty
3	1068	0.76	0.78	103	CA

Interfaces

1 interface between chains.

A–B · 365 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

4GNB · human SMP30/GNL · the same entry in another collection · chain A against A, TM-score 1.00
Q15493 · AlphaFold monomer V2.0 prediction for regucalcin (Q15493) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q15493
Elsewhere: RCSB PDB 4GNB · PDBe 4GNB · UniProt Q15493

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