MolNFT v1 · #15312 · protein

Crystal structure of pb-bound calmodulin

1N0Y: “Crystal structure of pb-bound calmodulin”. X-ray diffraction, 1 ligand (PB), 2 pockets (best druggability 0.66). MolNFT v1 #15312 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1N0Y
Type: protein
Length: 166 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calmodulin
UniProt: P07463
Ligands: PB
Pockets: 2 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 62% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Calmodulin	protein	87	61% helix, 5% strand	P07463
B	Calmodulin	protein	79	63% helix, 5% strand	P07463

Ligands and binding sites

PB · Lead (II) ion · metal · 14 copies · chains A, B
CAC · Cacodylate ion · additive · chains A, B
ACT · Acetate ion · additive · chains B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	618	0.66	0.75	44	empty
2	72	0.38	0.76	15	empty

Interfaces

1 interface between chains.

A–B · 405 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

1N0Y · Crystal Structure of Pb-bound Calmodulin · the same entry in another collection · chain A against A, TM-score 1.00
P07463 · AlphaFold monomer V2.0 prediction for calmodulin (P07463) · a predicted model of the same protein · chain B against A, TM-score 0.91

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 P07463
Elsewhere: RCSB PDB 1N0Y · PDBe 1N0Y · UniProt P07463

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