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MolNFT v1 · #80049 · protein

The avrptob-BAK1 complex reveals two structurally similar kinaseinteracting domains in a single type III effector

3TL8 · Brassinosteroid insensitive 1-associated receptor kinase 1: “The avrptob-BAK1 complex reveals two structurally similar kinaseinteracting domains in a single type III…”. X-ray diffraction, 20 pockets (best druggability 0.80). MolNFT…

PDB
3TL8
Type
protein
Length
1,576 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Brassinosteroid insensitive 1-associated receptor kinase 1; Effector protein HOPAB2
EC
2.7.10.1, 2.7.11.1, 6.3.2.-
UniProt
Q94F62, Q8RSY1
Pockets
20 · best druggability 0.80

Structure

x-ray diffraction · 7 distinct chains · 47% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABrassinosteroid insensitive 1-associated receptor kinase 1 (EC 2.7.10.1, 2.7.11.1)protein30443% helix, 16% strandQ94F62
BEffector protein HOPAB2 (EC 6.3.2.-)protein8762% helix, 1% strandQ8RSY1
DBrassinosteroid insensitive 1-associated receptor kinase 1 (EC 2.7.10.1, 2.7.11.1)protein31043% helix, 16% strandQ94F62
F, KEffector protein HOPAB2 (EC 6.3.2.-)protein8863% helix, 1% strandQ8RSY1
GBrassinosteroid insensitive 1-associated receptor kinase 1 (EC 2.7.10.1, 2.7.11.1)protein30543% helix, 16% strandQ94F62
HBrassinosteroid insensitive 1-associated receptor kinase 1 (EC 2.7.10.1, 2.7.11.1)protein30743% helix, 16% strandQ94F62
LEffector protein HOPAB2 (EC 6.3.2.-)protein8762% helix, 1% strandQ8RSY1

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19830.800.81108empty
210180.790.8193empty
35550.730.8160empty
45350.720.8161empty
53250.690.8337empty

Interfaces

8 interfaces between chains.

  • G–K · 1588 Ų buried · 19 hydrogen bonds · protein-protein
  • D–F · 1481 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 1420 Ų buried · 19 hydrogen bonds · protein-protein
  • H–L · 1388 Ų buried · 19 hydrogen bonds · protein-protein
  • G–H · 713 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 modified (phosphorylation).

Compared structures

  • 3TL8 · The AvrPtoB-BAK1 complex reveals two structurally similar kinaseinteracting domains in a… · the same entry in another collection · chain L against L, TM-score 1.00
  • Q94F62 · AlphaFold monomer V2.0 prediction for brassinosteroid insensitive 1-associated receptor… · a predicted model of the same protein · chain H against A, TM-score 0.98

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