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MolNFT v1 · #184236 · protein

Cryo-EM structure of medicago truncatula HISN5 protein

7OJ5 · Imidazoleglycerol-phosphate dehydratase: “Cryo-EM structure of medicago truncatula HISN5 protein”. Electron microscopy, 1 ligand (MN), 20 pockets (best druggability 0.78). MolNFT v1 #184236 on GenesisL1: 3D structure, binding sites…

PDB
7OJ5
Type
protein
Length
4,416 residues
Chains
24
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Imidazoleglycerol-phosphate dehydratase
EC
4.2.1.19
UniProt
I3SDM5
Ligands
MN
Pockets
20 · best druggability 0.78

Structure

electron microscopy · 1 distinct chain · 36% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, V, W, X, YImidazoleglycerol-phosphate dehydratase (EC 4.2.1.19)protein18436% helix, 34% strandI3SDM5

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 48 copies · chains A, J, W, B, I, N, C, F, Q, D, S, H, E, L, Y, T, G, X, M, O, V, R, K, P

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
18340.780.8177empty
28660.780.8182empty
310010.780.8080empty
410430.770.8082empty
510450.770.8086empty

Interfaces

60 interfaces between chains.

  • H–Q · 767 Ų buried · 6 hydrogen bonds · protein-protein
  • J–S · 766 Ų buried · 6 hydrogen bonds · protein-protein
  • F–M · 765 Ų buried · 6 hydrogen bonds · protein-protein
  • K–W · 765 Ų buried · 6 hydrogen bonds · protein-protein
  • B–W · 765 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 7OJ5 · Cryo-EM structure of Medicago truncatula HISN5 protein · the same entry in another collection · chain A against A, TM-score 1.00

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