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MolNFT v1 · #172920 · protein

Crystal structure of a truncated form of the KLC1-tpr domain ([A1-B5] fragment) - monoclinic crystal form

7AIE · Kinesin light chain 1: “Crystal structure of a truncated form of the KLC1-tpr domain ([A1-B5] fragment) - monoclinic crystal form”. X-ray diffraction, 1 ligand (MG), 6 pockets (best druggability 0.35). MolNFT v1 #172920 on…

PDB
7AIE
Type
protein
Length
827 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Kinesin light chain 1
UniProt
Q07866
Ligands
MG
Pockets
6 · best druggability 0.35

Structure

x-ray diffraction · 3 distinct chains · 82% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CKinesin light chain 1protein20782% helix, 0% strandQ07866
BKinesin light chain 1protein20882% helix, 0% strandQ07866
DKinesin light chain 1protein20583% helix, 0% strandQ07866

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1730.350.7717empty
2790.340.7521empty
3550.310.7619empty
4520.290.7514empty
5520.290.7615empty

Interfaces

3 interfaces between chains.

  • A–C · 681 Ų buried · 2 hydrogen bonds · protein-protein
  • B–D · 646 Ų buried · 4 hydrogen bonds · protein-protein
  • A–B · 534 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 7AIE · Crystal structure of a truncated form of the KLC1-TPR domain ([A1-B5] fragment)… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q07866 · AlphaFold monomer V2.0 prediction for kinesin light chain 1 (Q07866) · a predicted model of the same protein · chain D against A, TM-score 0.83

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