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MolNFT v1 · #75122 · protein

Crystal structure of human U1 snrnp

3PGW · U1-a: “Crystal structure of human U1 snrnp”. X-ray diffraction, 3 pockets (best druggability 0.32). MolNFT v1 #75122 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3PGW
Type
protein
Length
1,716 residues
Chains
18
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
U1-a; U1-70K; Sm-D3; Sm B; Sm-D1; Sm-D2; Sm-F; Sm-E; Sm G
UniProt
P09012, P08621, P62318, Q66K91, P62314, P62316, P62306, P62304, D6W5G6
Pockets
3 · best druggability 0.32

Structure

x-ray diffraction · 16 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AU1-aprotein1080% helix, 0% strandP09012
SU1-70Kprotein1500% helix, 0% strandP08621
ZSm-D3protein800% helix, 0% strandP62318
BSm Bprotein810% helix, 0% strandQ66K91
X, USm-D1protein850% helix, 0% strandP62314
YSm-D2protein1110% helix, 0% strandP62316
FSm-Fprotein850% helix, 0% strandP62306
ESm-Eprotein840% helix, 0% strandP62304
G, JSm Gprotein760% helix, 0% strandD6W5G6
PU1-aprotein1130% helix, 0% strandP09012
LU1-70Kprotein1480% helix, 0% strandP08621
WSm-D3protein920% helix, 0% strandP62318
QSm Bprotein760% helix, 0% strandQ66K91
VSm-D2protein1030% helix, 0% strandP62316
ISm-Fprotein740% helix, 0% strandP62306
HSm-Eprotein890% helix, 0% strandP62304

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1770.320.7222empty
2500.280.7317empty
3500.270.7314empty

Interfaces

20 interfaces between chains.

  • Y–F · 153 Ų buried · 0 hydrogen bonds · protein-protein
  • F–E · 140 Ų buried · 0 hydrogen bonds · protein-protein
  • V–I · 140 Ų buried · 0 hydrogen bonds · protein-protein
  • I–H · 139 Ų buried · 0 hydrogen bonds · protein-protein
  • W–Q · 126 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 3PGW · Crystal structure of human U1 snRNP · the same entry in another collection · chain J against J, TM-score 1.00

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