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Crystal structure of RNase T in complex with a preferred ssdna (tta) with two mg in the active site

Analyse Crystal structure of RNase T in complex with a preferred ssdna (tta) with two… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3V9W
Type
protein + DNA
Length
829 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribonuclease T; DNA (5'-D(*GP*CP*TP*TP*A)-3')
EC
3.1.13.-
UniProt
P30014
Ligands
MG, CO
Pockets
3 · best druggability 0.64

Structure

x-ray diffraction · 5 distinct chains · 41% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibonuclease T (EC 3.1.13.-)protein20240% helix, 24% strandP30014
BRibonuclease T (EC 3.1.13.-)protein20141% helix, 24% strandP30014
CRibonuclease T (EC 3.1.13.-)protein20640% helix, 24% strandP30014
DRibonuclease T (EC 3.1.13.-)protein20841% helix, 24% strandP30014
E, F, G, HDNA (5'-D(*GP*CP*TP*TP*A)-3')dna3——

Ligands and binding sites

  • MG · Magnesium ion · metal · 6 copies · chains A, E, B, F, C, G, D, H
  • CO · Cobalt (II) ion · metal · 6 copies · chains A, B, C, G, D, H

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14680.640.7758empty
24220.620.7739empty
34770.610.7531empty

Interfaces

11 interfaces between chains.

  • C–D · 1378 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 1350 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 678 Ų buried · 12 hydrogen bonds · protein-protein
  • B–F · 506 Ų buried · 7 hydrogen bonds · protein-nucleic
  • A–E · 501 Ų buried · 7 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 3V9W · Crystal structure of RNase T in complex with a preferred ssDNA (TTA) with two Mg in the… · the same entry in another collection · chain H against H, TM-score 1.00
  • P30014 · AlphaFold monomer V2.0 prediction for ribonuclease T (P30014) · a predicted model of the same protein · chain B against A, TM-score 0.99

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