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MolNFT v1 · #70424 · protein

Crystal structure of capz bound to the cpi and csi uncapping motifs from carmil

3LK3 · F-actin-capping protein subunit alpha-1: “Crystal structure of capz bound to the cpi and csi uncapping motifs from carmil”. X-ray diffraction, 9 pockets (best druggability 0.80). MolNFT v1 #70424 on GenesisL1: 3D structure, binding…

PDB
3LK3
Type
protein
Length
564 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
F-actin-capping protein subunit alpha-1; F-actin-capping protein subunit beta isoforms 1…
UniProt
P13127, P14315, Q5VZK9
Pockets
9 · best druggability 0.80

Structure

x-ray diffraction · 3 distinct chains · 38% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AF-actin-capping protein subunit alpha-1protein26640% helix, 34% strandP13127
BF-actin-capping protein subunit beta isoforms 1 and 2protein24940% helix, 35% strandP14315
TLeucine-rich repeat-containing protein 16Aprotein4914% helix, 0% strandQ5VZK9

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11190.800.9819empty
21480.650.8729empty
3810.580.8822empty
41970.510.7725empty
5580.420.8216empty

Interfaces

3 interfaces between chains.

  • A–B · 3984 Ų buried · 63 hydrogen bonds · protein-protein
  • B–T · 1961 Ų buried · 35 hydrogen bonds · protein-protein
  • A–T · 1267 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 3LK3 · Crystal structure of CapZ bound to the CPI and CSI uncapping motifs from CARMIL · the same entry in another collection · chain A against A, TM-score 1.00
  • P14315 · AlphaFold monomer V2.0 prediction for F-actin-capping protein subunit beta isoforms 1 and… · a predicted model of the same protein · chain B against A, TM-score 0.98
  • P13127 · AlphaFold monomer V2.0 prediction for F-actin-capping protein subunit alpha-1 (P13127) · a predicted model of the same protein · chain A against A, TM-score 0.95
  • Q5VZK9 · AlphaFold monomer V2.0 prediction for F-actin-uncapping protein LRRC16A (Q5VZK9) · a predicted model of the same protein · chain T against A, TM-score 0.32

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