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MolNFT v1 · #125205 · protein

Crystal structure of the complex between the N-terminal SH3 domain of crkii and a proline-rich ligand

5L23 · Adapter molecule crk: “Crystal structure of the complex between the N-terminal SH3 domain of crkii and a proline-rich ligand”. X-ray diffraction, 2 ligands (ACE, NH2). MolNFT v1 #125205 on GenesisL1: 3D structure, binding sites and…

PDB
5L23
Type
protein
Length
73 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Adapter molecule crk; C3G derived peptide
UniProt
Q64010
Ligands
ACE, NH2

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAdapter molecule crkprotein585% helix, 45% strandQ64010
BC3G derived peptideprotein150% helix, 0% strand—

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains B
  • NH2 · Amino group · ion · chains A, B
  • PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A

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

Interfaces

1 interface between chains.

  • A–B · 582 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 5L23 · Crystal structure of the complex between the N-terminal SH3 domain of CrkII and a… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q64010 · AlphaFold monomer V2.0 prediction for adapter molecule crk (Q64010) · a predicted model of the same protein · chain A against A, TM-score 0.95

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