MolNFT v1 · #19867 · protein

Crystal structure of apocalmodulin

1QX5: “Crystal structure of apocalmodulin”. X-ray diffraction, 20 pockets (best druggability 0.72). MolNFT v1 #19867 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1QX5
Type: protein
Length: 1,159 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calmodulin
UniProt: P62161
Pockets: 20 · best druggability 0.72

Structure

x-ray diffraction · 4 distinct chains · 56% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
D, I, B, T, Y	Calmodulin	protein	145	58% helix, 9% strand	P62161
J	Calmodulin	protein	144	58% helix, 7% strand	P62161
K	Calmodulin	protein	143	52% helix, 8% strand	P62161
R	Calmodulin	protein	147	55% helix, 8% strand	P62161

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	950	0.72	0.76	111	empty
2	671	0.71	0.78	85	empty
3	364	0.64	0.79	45	empty
4	309	0.64	0.80	35	empty
5	300	0.64	0.81	45	empty

Interfaces

20 interfaces between chains.

J–T · 2710 Å² buried · 36 hydrogen bonds · protein-protein
I–R · 2709 Å² buried · 38 hydrogen bonds · protein-protein
B–K · 2694 Å² buried · 32 hydrogen bonds · protein-protein
D–Y · 2680 Å² buried · 34 hydrogen bonds · protein-protein
I–K · 368 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

1QX5 · Crystal structure of apoCalmodulin · the same entry in another collection · chain D against D, 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 P62161
Elsewhere: RCSB PDB 1QX5 · PDBe 1QX5 · UniProt P62161

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