MolNFT v1 · #115700 · protein

Wild-type human skeletal calsequestrin

5CRD · Calsequestrin-1: “Wild-type human skeletal calsequestrin”. X-ray diffraction, 1 ligand (CA), 8 pockets (best druggability 0.68). MolNFT v1 #115700 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5CRD
Type: protein
Length: 348 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calsequestrin-1
UniProt: P31415
Ligands: CA
Pockets: 8 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Calsequestrin-1	protein	348	38% helix, 20% strand	P31415

Ligands and binding sites

CA · Calcium ion · metal · 4 copies · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	232	0.68	0.85	28	empty
2	109	0.48	0.79	17	MPD
3	113	0.37	0.74	20	empty
4	91	0.37	0.76	16	empty
5	86	0.35	0.75	17	empty

Compared structures

5CRD · Wild-type human skeletal calsequestrin · the same entry in another collection · chain A against A, TM-score 1.00
P31415 · AlphaFold monomer V2.0 prediction for calsequestrin-1 (P31415) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P31415
Elsewhere: RCSB PDB 5CRD · PDBe 5CRD · UniProt P31415

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