MolNFT v1 · #185410 · protein

Crystal structure of cam in complex with cdz (form 2)

7PU9 · Calmodulin-1: “Crystal structure of cam in complex with cdz (form 2)”. X-ray diffraction, 2 ligands (85H, CA), 1 pocket (best druggability 0.82). MolNFT v1 #185410 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7PU9
Type: protein
Length: 144 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calmodulin-1
UniProt: P0DP23
Ligands: 85H, CA
Pockets: 1 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 62% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Calmodulin-1	protein	144	62% helix, 6% strand	P0DP23

Ligands and binding sites

85H · 1-[bis(4-chlorophenyl)methyl]-3-[(2~{R})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl) methoxy]ethyl]imidazole · ligand · 2 copies · chains A
CA · Calcium ion · metal · 4 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	870	0.82	0.83	55	85H

Compared structures

7PU9 · Crystal structure of CaM in complex with CDZ (form 2) · the same entry in another collection · chain A against A, TM-score 1.00
P0DP23 · AlphaFold monomer V2.0 prediction for calmodulin-1 (P0DP23) · a predicted model of the same protein · chain A against A, TM-score 0.51

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 P0DP23
Elsewhere: RCSB PDB 7PU9 · PDBe 7PU9 · UniProt P0DP23

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