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MolNFT v1 · #182342 · protein

Crystal structure of NUP358/RANBP2 ran-binding domain 3 in complex with ran-gppnhp

7MNY · GTP-binding nuclear protein ran: “Crystal structure of NUP358/RANBP2 ran-binding domain 3 in complex with ran-gppnhp”. X-ray diffraction, 2 ligands (GNP, MG), 20 pockets (best druggability 0.85). MolNFT v1 #182342 on GenesisL1: 3D…

PDB
7MNY
Type
protein
Length
2,004 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GTP-binding nuclear protein ran; E3 sumo-protein ligase RANBP2
EC
2.3.2.-
UniProt
P62826, P49792
Ligands
GNP, MG
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · 11 distinct chains · 25% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGTP-binding nuclear protein ranprotein20831% helix, 23% strandP62826
BE3 sumo-protein ligase RANBP2 (EC 2.3.2.-)protein12913% helix, 47% strandP49792
CGTP-binding nuclear protein ranprotein20233% helix, 24% strandP62826
DE3 sumo-protein ligase RANBP2 (EC 2.3.2.-)protein13512% helix, 47% strandP49792
EGTP-binding nuclear protein ranprotein20331% helix, 24% strandP62826
FE3 sumo-protein ligase RANBP2 (EC 2.3.2.-)protein12313% helix, 49% strandP49792
GGTP-binding nuclear protein ranprotein20532% helix, 23% strandP62826
HE3 sumo-protein ligase RANBP2 (EC 2.3.2.-)protein13413% helix, 48% strandP49792
IGTP-binding nuclear protein ranprotein20330% helix, 24% strandP62826
J, LE3 sumo-protein ligase RANBP2 (EC 2.3.2.-)protein12813% helix, 47% strandP49792
KGTP-binding nuclear protein ranprotein20633% helix, 23% strandP62826

Ligands and binding sites

  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 6 copies · chains A, C, E, G, I, K
  • MG · Magnesium ion · metal · 6 copies · chains A, C, E, G, I, K

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

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18260.850.8896GNP, MG
24790.820.8983empty
34720.810.8865GNP, MG
42890.790.9052GNP, MG
52310.750.8933empty

Interfaces

23 interfaces between chains.

  • C–D · 2526 Ų buried · 37 hydrogen bonds · protein-protein
  • G–H · 2473 Ų buried · 41 hydrogen bonds · protein-protein
  • K–L · 2339 Ų buried · 41 hydrogen bonds · protein-protein
  • I–J · 2294 Ų buried · 38 hydrogen bonds · protein-protein
  • A–B · 2251 Ų buried · 34 hydrogen bonds · protein-protein

Compared structures

  • 7MNY · Crystal Structure of Nup358/RanBP2 Ran-binding domain 3 in complex with Ran-GPPNHP · the same entry in another collection · chain A against A, TM-score 1.00

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