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MolNFT v1 · #148535 · protein

Crystal structure of KLC2 bound to the second tryptophan-acidic motif peptide from calsyntenin-1

6F9I · Kinesin light chain 2: “Crystal structure of KLC2 bound to the second tryptophan-acidic motif peptide from calsyntenin-1”. X-ray diffraction, 6 pockets (best druggability 0.40). MolNFT v1 #148535 on GenesisL1: 3D structure, binding…

PDB
6F9I
Type
protein
Length
544 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Kinesin light chain 2; Calsyntenin-1
UniProt
Q91YS4, Q9EPL2
Pockets
6 · best druggability 0.40

Structure

x-ray diffraction · 4 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AKinesin light chain 2protein26181% helix, 0% strandQ91YS4
XCalsyntenin-1protein90% helix, 0% strandQ9EPL2
BKinesin light chain 2protein26482% helix, 0% strandQ91YS4
CCalsyntenin-1protein100% helix, 0% strandQ9EPL2

Pockets

6 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1760.400.7921empty
2780.390.7817empty
3800.380.7718empty
4590.310.7510empty
5560.300.7613empty

Interfaces

3 interfaces between chains.

  • B–C · 744 Ų buried · 10 hydrogen bonds · protein-protein
  • A–X · 676 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 506 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 6F9I · Crystal structure of KLC2 bound to the second tryptophan-acidic motif peptide from… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9EPL2 · AlphaFold monomer V2.0 prediction for calsyntenin-1 (Q9EPL2) · a predicted model of the same protein · chain X against A, TM-score 0.59

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