MolNFT v1 · #10611 · protein
Crystal structure of marcks calmodulin binding domain peptide complexed with CA2+/CALMODULIN
1IWQ: “Crystal structure of marcks calmodulin binding domain peptide complexed with CA2+/CALMODULIN”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.50). MolNFT v1 #10611 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1IWQ
- Type
- protein
- Length
- 157 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; Marcks
- UniProt
- P62158, P26645
- Ligands
- CA
- Pockets
- 1 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 59% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 139 | 62% helix, 4% strand | P62158 |
| B | Marcks | protein | 18 | 33% helix, 0% strand | P26645 |
Ligands and binding sites
- 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 176 | 0.50 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1343 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 1IWQ · Crystal Structure of MARCKS calmodulin binding domain peptide complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- P26645 · AlphaFold monomer V2.0 prediction for myristoylated alanine-rich C-kinase substrate… · a predicted model of the same protein · chain B against A, TM-score 0.19
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 P62158
- Every structure of UniProt P26645
- Elsewhere: RCSB PDB 1IWQ · PDBe 1IWQ · UniProt P62158 · UniProt P26645
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