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MolNFT v1 · #95669 · protein

Crystal structure of a STT7 homolog from micromonas algae in complex with ADP

4IX4 · MSSTT7D protein: “Crystal structure of a STT7 homolog from micromonas algae in complex with ADP”. X-ray diffraction, 2 ligands (ADP, MG), 4 pockets (best druggability 0.84). MolNFT v1 #95669 on GenesisL1: 3D structure, binding sites…

PDB
4IX4
Type
protein
Length
696 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MSSTT7D protein
UniProt
C1EBN1
Ligands
ADP, MG
Pockets
4 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMSSTT7D proteinprotein34641% helix, 15% strandC1EBN1
BMSSTT7D proteinprotein35040% helix, 16% strandC1EBN1

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 3 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19450.840.85124ADP, MG
21010.510.8321MG
3560.410.8216empty
4580.340.7822empty

Interfaces

1 interface between chains.

  • A–B · 837 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 4IX4 · Crystal structure of a Stt7 homolog from Micromonas algae in complex with ADP · the same entry in another collection · chain A against A, TM-score 1.00

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