MolNFT v1 · #174361 · protein
Crystal structure of the SERCA2A in the E2.ATP state
7BT2 · SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 2: “Crystal structure of the SERCA2A in the E2.ATP state”. X-ray diffraction, 3 ligands (PCW, ATP, K), 16 pockets (best druggability 0.79). MolNFT v1 #174361 on GenesisL1: 3D…
- PDB
- 7BT2
- Type
- protein
- Length
- 991 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 2
- EC
- 7.2.2.10
- UniProt
- P16615
- Ligands
- PCW, ATP, K
- Pockets
- 16 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 2 (EC 7.2.2.10) | protein | 991 | 45% helix, 17% strand | P16615 |
Ligands and binding sites
- PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine · ligand · 4 copies · chains A
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- K · Potassium ion · metal · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 722 | 0.79 | 0.84 | 67 | ATP |
| 2 | 739 | 0.76 | 0.80 | 55 | empty |
| 3 | 455 | 0.74 | 0.83 | 60 | empty |
| 4 | 196 | 0.63 | 0.83 | 28 | empty |
| 5 | 242 | 0.60 | 0.80 | 36 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7BT2 · Crystal structure of the SERCA2a in the E2.ATP state · the same entry in another collection · chain A against A, TM-score 1.00
- P16615 · AlphaFold monomer V2.0 prediction for SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 2… · a predicted model of the same protein · chain A against A, TM-score 0.69
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 P16615
- Elsewhere: RCSB PDB 7BT2 · PDBe 7BT2 · UniProt P16615
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