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Crystal structure of dual-specific a-kinase anchoring protein 2 in complex with camp-dependent protein kinase a type II alpha and PDZK1

Analyse Crystal structure of dual-specific a-kinase anchoring protein 2 in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3TMH
Type
protein
Length
471 residues
Chains
10
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NA(+)/H(+) exchange regulatory cofactor nhe-RF3; Camp-dependent protein kinase type…
UniProt
Q5T2W1, P12368, O43572
Pockets
1 · best druggability 0.50

Structure

x-ray diffraction · 8 distinct chains · 51% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, E, INA(+)/H(+) exchange regulatory cofactor nhe-RF3protein8217% helix, 37% strandQ5T2W1
BCamp-dependent protein kinase type II-alpha regulatory subunitprotein3675% helix, 0% strandP12368
CCamp-dependent protein kinase type II-alpha regulatory subunitprotein3964% helix, 0% strandP12368
DA-kinase anchor protein 10, mitochondrialprotein2854% helix, 18% strandO43572
FCamp-dependent protein kinase type II-alpha regulatory subunitprotein3969% helix, 0% strandP12368
GCamp-dependent protein kinase type II-alpha regulatory subunitprotein3370% helix, 0% strandP12368
HA-kinase anchor protein 10, mitochondrialprotein2348% helix, 22% strandO43572
LA-kinase anchor protein 10, mitochondrialprotein2756% helix, 19% strandO43572

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12290.500.7534empty

Interfaces

14 interfaces between chains.

  • B–C · 869 Ų buried · 8 hydrogen bonds · protein-protein
  • F–G · 660 Ų buried · 3 hydrogen bonds · protein-protein
  • I–L · 559 Ų buried · 24 hydrogen bonds · protein-protein
  • E–H · 558 Ų buried · 20 hydrogen bonds · protein-protein
  • A–D · 556 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 3TMH · Crystal structure of dual-specific A-kinase anchoring protein 2 in complex with… · the same entry in another collection · chain L against L, TM-score 1.00
  • Q5T2W1 · AlphaFold monomer V2.0 prediction for NA(+)/H(+) exchange regulatory cofactor nhe-RF3… · a predicted model of the same protein · chain A against A, TM-score 0.96
  • P12368 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase type II-alpha… · a predicted model of the same protein · chain B against A, TM-score 0.90

Analyse

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