MolNFT v1 · #27121 · protein

Structure of calmodulin in complex with kar-2, a bis-indol alkaloid

1XA5: “Structure of calmodulin in complex with kar-2, a bis-indol alkaloid”. X-ray diffraction, 2 ligands (KAR, CA), 1 pocket (best druggability 0.75). MolNFT v1 #27121 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1XA5
Type: protein
Length: 144 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calmodulin
UniProt: P62157
Ligands: KAR, CA
Pockets: 1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Calmodulin	protein	144	58% helix, 3% strand	P62157

Ligands and binding sites

KAR · 3"-(beta-chloroethyl)-2",4"-dioxo-3, 5"-spiro-oxazolidino-4-deacetoxy-vinblastine · ligand · 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	835	0.75	0.78	43	KAR

Compared structures

1XA5 · Structure of Calmodulin in complex with KAR-2, a bis-indol alkaloid · the same entry in another collection · chain A against A, TM-score 1.00
P62157 · AlphaFold monomer V2.0 prediction for calmodulin (P62157) · a predicted model of the same protein · chain A against A, TM-score 0.49

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 P62157
Elsewhere: RCSB PDB 1XA5 · PDBe 1XA5 · UniProt P62157

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