MolNFT v1 · #22062 · protein

Crystal structure of calcium ATPase with two bound calcium ions

1SU4 · SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1: “Crystal structure of calcium ATPase with two bound calcium ions”. X-ray diffraction, 2 ligands (CA, NA), 17 pockets (best druggability 0.75). MolNFT v1 #22062 on GenesisL1: 3D…

PDB: 1SU4
Type: protein
Length: 994 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1
EC: 3.6.3.8
UniProt: P04191
Ligands: CA, NA
Pockets: 17 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1 (EC 3.6.3.8)	protein	994	48% helix, 16% strand	P04191

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A
NA · Sodium ion · metal · chains A

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

Pockets

17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	641	0.75	0.81	58	empty
2	611	0.67	0.77	45	empty
3	375	0.65	0.79	38	empty
4	243	0.61	0.81	31	empty
5	239	0.60	0.80	30	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

1SU4 · Crystal structure of calcium ATPase with two bound calcium ions · the same entry in another collection · chain A against A, TM-score 1.00
P04191 · AlphaFold monomer V2.0 prediction for SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 1… · a predicted model of the same protein · chain A against A, TM-score 0.58

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 P04191
Elsewhere: RCSB PDB 1SU4 · PDBe 1SU4 · UniProt P04191

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