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Crystal structure of GAPDH/CP12/PRK complex from arabidopsis thaliana

Analyse Crystal structure of GAPDH/CP12/PRK complex from arabidopsis thaliana in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6KEZ
Type
protein
Length
4,345 residues
Chains
16
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glyceraldehyde-3-phosphate dehydrogenase GAPA1; Phosphoribulokinase; Calvin cycle protein…
EC
1.2.1.13, 2.7.1.19
UniProt
P25856, P25697, Q9LZP9
Ligands
NAD
Pockets
20 · best druggability 0.83

Structure

x-ray diffraction · 5 distinct chains · 36% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, E, F, G, HGlyceraldehyde-3-phosphate dehydrogenase GAPA1 (EC 1.2.1.13)protein33631% helix, 28% strandP25856
DGlyceraldehyde-3-phosphate dehydrogenase GAPA1 (EC 1.2.1.13)protein33528% helix, 28% strandP25856
I, K, J, LPhosphoribulokinase (EC 2.7.1.19)protein34235% helix, 25% strandP25697
M, NCalvin cycle protein CP12-2protein7370% helix, 0% strandQ9LZP9
O, PCalvin cycle protein CP12-2protein7272% helix, 0% strandQ9LZP9

Ligands and binding sites

  • NAD · Nicotinamide-adenine-dinucleotide · ligand · 8 copies · chains A, D, P, B, C, O, E, H, M, F, G, N

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110330.830.84107NAD
210910.830.84118NAD
310230.820.84102empty
47090.810.8578empty
59120.810.83103empty

Interfaces

34 interfaces between chains.

  • A–C · 1991 Ų buried · 16 hydrogen bonds · protein-protein
  • E–G · 1979 Ų buried · 25 hydrogen bonds · protein-protein
  • B–D · 1963 Ų buried · 29 hydrogen bonds · protein-protein
  • F–H · 1960 Ų buried · 30 hydrogen bonds · protein-protein
  • F–G · 1400 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 15 disulfide (disulfide).

Compared structures

  • 6KEZ · Crystal structure of GAPDH/CP12/PRK complex from Arabidopsis thaliana · the same entry in another collection · chain J against J, TM-score 1.00

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