MolNFT v1 · #83019 · protein

Crystal structure of the calcium pump in the E2 state free from exogenous inhibitors

3W5C · SERCA1A: “Crystal structure of the calcium pump in the E2 state free from exogenous inhibitors”. X-ray diffraction, 3 ligands (PTY, ACE, NA), 11 pockets (best druggability 0.80). MolNFT v1 #83019 on GenesisL1: 3D structure, binding…

PDB: 3W5C
Type: protein
Length: 994 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERCA1A
UniProt: B6CAM1
Ligands: PTY, ACE, NA
Pockets: 11 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SERCA1A	protein	994	47% helix, 17% strand	B6CAM1

Ligands and binding sites

PTY · Phosphatidylethanolamine · ligand · 5 copies · chains A
ACE · Acetyl group · ligand · chains A
NA · Sodium ion · metal · chains A

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

Pockets

11 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	1171	0.80	0.81	104	empty
2	995	0.74	0.77	75	PTY
3	765	0.72	0.77	65	empty
4	294	0.62	0.79	30	empty
5	261	0.61	0.80	32	empty

Modifications

Observed in the structure: 1 covalent, 1 disulfide (covalent ligand, disulfide).

Compared structures

3W5C · Crystal structure of the calcium pump in the E2 state free from exogenous inhibitors · 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 B6CAM1
Elsewhere: RCSB PDB 3W5C · PDBe 3W5C · UniProt B6CAM1

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