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Crystal structure analysis of full-length carboxyl-terminal src kinase at 2.5 a resolution

Analyse Crystal structure analysis of full-length carboxyl-terminal src kinase at 2.5 a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1K9A
Type
protein
Length
2,627 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Carboxyl-terminal src kinase
EC
2.7.1.112
UniProt
P32577
Pockets
20 · best druggability 0.79

Structure

x-ray diffraction · 6 distinct chains · 29% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACarboxyl-terminal src kinase (EC 2.7.1.112)protein43928% helix, 25% strandP32577
BCarboxyl-terminal src kinase (EC 2.7.1.112)protein44128% helix, 24% strandP32577
CCarboxyl-terminal src kinase (EC 2.7.1.112)protein43830% helix, 23% strandP32577
DCarboxyl-terminal src kinase (EC 2.7.1.112)protein43330% helix, 23% strandP32577
ECarboxyl-terminal src kinase (EC 2.7.1.112)protein44028% helix, 23% strandP32577
FCarboxyl-terminal src kinase (EC 2.7.1.112)protein43627% helix, 23% strandP32577

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110680.790.80109empty
28390.730.7892empty
39530.730.7772empty
46690.700.7876empty
58700.700.7685empty

Interfaces

6 interfaces between chains.

  • B–C · 831 Ų buried · 7 hydrogen bonds · protein-protein
  • A–B · 749 Ų buried · 7 hydrogen bonds · protein-protein
  • B–E · 516 Ų buried · 8 hydrogen bonds · protein-protein
  • A–D · 513 Ų buried · 6 hydrogen bonds · protein-protein
  • D–E · 346 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 1K9A · Crystal structure analysis of full-length carboxyl-terminal Src kinase at 2.5 A resolution · the same entry in another collection · chain F against F, TM-score 1.00
  • P32577 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase csk (P32577) · a predicted model of the same protein · chain E against A, TM-score 0.90

Analyse

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