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Crystal structure of gmppnp-bound human GIMAP7 L100Q variant

Analyse Crystal structure of gmppnp-bound human GIMAP7 L100Q variant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3ZJC
Type
protein
Length
1,555 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GTPase imap family member 7
UniProt
Q8NHV1
Ligands
GNP, MG
Pockets
19 · best druggability 0.87

Structure

x-ray diffraction · 6 distinct chains · 54% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGTPase imap family member 7protein28357% helix, 12% strandQ8NHV1
BGTPase imap family member 7protein25751% helix, 14% strandQ8NHV1
CGTPase imap family member 7protein25452% helix, 14% strandQ8NHV1
DGTPase imap family member 7protein22350% helix, 13% strandQ8NHV1
EGTPase imap family member 7protein28655% helix, 13% strandQ8NHV1
FGTPase imap family member 7protein25254% helix, 14% strandQ8NHV1

Ligands and binding sites

  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 6 copies · chains A, B, C, D, E, F
  • MG · Magnesium ion · metal · 6 copies · chains A, B, C, D, E, F

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

Pockets

19 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18620.870.89111MG, GNP
26110.850.9084empty
35900.800.8663MG, GNP
47080.790.8480MG, GNP
53240.790.9060empty

Interfaces

10 interfaces between chains.

  • C–D · 1849 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 1627 Ų buried · 20 hydrogen bonds · protein-protein
  • E–F · 1542 Ų buried · 21 hydrogen bonds · protein-protein
  • A–E · 989 Ų buried · 12 hydrogen bonds · protein-protein
  • B–F · 421 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 3ZJC · Crystal structure of GMPPNP-bound human GIMAP7 L100Q variant · the same entry in another collection · chain F against F, TM-score 1.00
  • Q8NHV1 · AlphaFold monomer V2.0 prediction for GTPase imap family member 7 (Q8NHV1) · a predicted model of the same protein · chain F against A, TM-score 0.99

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