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Crystal structure of the genetically encoded calcium indicator rcamp

Analyse Crystal structure of the genetically encoded calcium indicator rcamp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3U0K
Type: protein
Length: 397 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Rcamp
Ligands: CRK, CA
Pockets: 5 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Rcamp	protein	397	28% helix, 34% strand	—

Ligands and binding sites

CRK · 4-{(Z)-[2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4H-imidazol-4-ylidene]methyl}benzenolate · ligand · chains A
CA · Calcium ion · metal · 4 copies · chains A
ACT · Acetate ion · additive · chains A

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

Pockets

5 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	86	0.75	0.98	26	CRK, ACT
2	153	0.52	0.80	24	empty
3	116	0.50	0.80	27	empty
4	72	0.38	0.78	17	empty
5	59	0.31	0.75	13	empty

Modifications

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

Compared structures

3U0K · Crystal Structure of the genetically encoded calcium indicator RCaMP · the same entry in another collection · chain A against A, TM-score 0.55

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 3U0K · PDBe 3U0K

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