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Crystal structure of mutant spinach RNA aptamer in complex with Fab BL3-6

Analyse Crystal structure of mutant spinach RNA aptamer in complex with Fab BL3-6 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6B3K
Type
protein + RNA
Length
523 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heavy chain of Fab BL3-6; Light chain of Fab BL3-6; RNA (83-MER),RNA (83-mer)
Ligands
MG
Pockets
8 · best druggability 0.65

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HHeavy chain of Fab BL3-6protein22511% helix, 49% strand—
LLight chain of Fab BL3-6protein2156% helix, 51% strand—
RRNA (83-MER),RNA (83-mer)rna83——

Ligands and binding sites

  • MG · Magnesium ion · metal · chains H, L

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16430.650.7643empty
24890.610.7548empty
32350.570.7936empty
43620.560.7623empty
5590.470.8522MG

Interfaces

3 interfaces between chains.

  • H–L · 1994 Ų buried · 14 hydrogen bonds · protein-protein
  • H–R · 708 Ų buried · 13 hydrogen bonds · protein-nucleic
  • L–R · 155 Ų buried · 1 hydrogen bond · protein-nucleic

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 6B3K · Crystal structure of mutant Spinach RNA aptamer in complex with Fab BL3-6 · the same entry in another collection · chain L against L, TM-score 1.00

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