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MolNFT v1 · #160850 · protein

Hydrocarbon-stapled paxillin peptide bound to the focal adhesion targeting (fat) domain of the focal adhesion kinase (fak)

6PW8 · Focal adhesion kinase 1: “Hydrocarbon-stapled paxillin peptide bound to the focal adhesion targeting (fat) domain of the focal adhesion…”. X-ray diffraction, 5 ligands (ACE, 2JN, ZN). MolNFT v1 #160850 on GenesisL1: 3D structure…

PDB
6PW8
Type
protein
Length
138 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Focal adhesion kinase 1; SP3
EC
2.7.10.2
UniProt
Q05397
Ligands
ACE, 2JN, ZN, NH2, CL

Structure

x-ray diffraction · 2 distinct chains · 84% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFocal adhesion kinase 1 (EC 2.7.10.2)protein12687% helix, 0% strandQ05397
BSP3protein1250% helix, 0% strand—

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains B
  • 2JN · 2-methyl-D-norleucine · ligand · chains B
  • ZN · Zinc ion · metal · chains A
  • NH2 · Amino group · ion · chains B
  • CL · Chloride ion · ion · chains A

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

Interfaces

1 interface between chains.

  • A–B · 634 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent, 1 modified (covalent ligand, nonstandard).

Compared structures

  • 6PW8 · Hydrocarbon-Stapled Paxillin Peptide Bound to the Focal Adhesion Targeting (FAT) Domain… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q05397 · AlphaFold monomer V2.0 prediction for focal adhesion kinase 1 (Q05397) · a predicted model of the same protein · chain A against A, TM-score 0.98

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