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MolNFT v1 · #97346 · protein + DNA

Crystal structure of RNase T in complex with a bluge DNA (two nucleotide insertion cc )

4KB0 · Ribonuclease T: “Crystal structure of RNase T in complex with a bluge DNA (two nucleotide insertion cc )”. X-ray diffraction, 1 ligand (MG), 3 pockets (best druggability 0.76). MolNFT v1 #97346 on GenesisL1: 3D structure, binding…

PDB
4KB0
Type
protein + DNA
Length
447 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribonuclease T; DNA (5'- D(*GP*GP*CP*CP*CP*TP*CP*TP*TP*TP*AP*GP*GP*GP*CP*CP*CP*C)-3')
EC
3.1.13.-
UniProt
P30014
Ligands
MG
Pockets
3 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 40% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibonuclease T (EC 3.1.13.-)protein20741% helix, 24% strandP30014
BRibonuclease T (EC 3.1.13.-)protein20439% helix, 25% strandP30014
C, DDNA (5'- D(*GP*GP*CP*CP*CP*TP*CP*TP*TP*TP*AP*GP*GP*GP*CP*CP*CP*C)-3')dna18——

Ligands and binding sites

  • MG · Magnesium ion · metal · 4 copies · chains A, C, B, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19550.760.7984empty
21900.500.7721empty
31360.420.7618empty

Interfaces

5 interfaces between chains.

  • A–B · 1382 Ų buried · 15 hydrogen bonds · protein-protein
  • B–D · 600 Ų buried · 10 hydrogen bonds · protein-nucleic
  • A–C · 600 Ų buried · 10 hydrogen bonds · protein-nucleic
  • B–C · 343 Ų buried · 5 hydrogen bonds · protein-nucleic
  • A–D · 339 Ų buried · 5 hydrogen bonds · protein-nucleic

Compared structures

  • 4KB0 · Crystal structure of RNase T in complex with a bluge DNA (Two nucleotide insertion CC ) · the same entry in another collection · chain A against A, 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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