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MolNFT v1 · #121059 · protein + RNA

Crystal structure of M. tuberculosis mazf-MT3 (RV1991C) in complex with RNA

5HK0 · Endoribonuclease MAZF6: “Crystal structure of M. tuberculosis mazf-MT3 (RV1991C) in complex with RNA”. X-ray diffraction, 4 pockets (best druggability 0.58). MolNFT v1 #121059 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5HK0
Type
protein + RNA
Length
433 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endoribonuclease MAZF6; RNA (5'-R(*AP*GP*UP*C)-D(P*U)-R(P*CP*CP*UP*UP*UP*C)-3')
EC
3.1.27.-
UniProt
P9WII3
Pockets
4 · best druggability 0.58

Structure

x-ray diffraction · 6 distinct chains · 26% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndoribonuclease MAZF6 (EC 3.1.27.-)protein10927% helix, 39% strandP9WII3
BEndoribonuclease MAZF6 (EC 3.1.27.-)protein10729% helix, 39% strandP9WII3
CEndoribonuclease MAZF6 (EC 3.1.27.-)protein10923% helix, 36% strandP9WII3
DEndoribonuclease MAZF6 (EC 3.1.27.-)protein10127% helix, 37% strandP9WII3
ERNA (5'-R(*AP*GP*UP*C)-D(P*U)-R(P*CP*CP*UP*UP*UP*C)-3')rna5——
FRNA (5'-R(*AP*GP*UP*C)-D(P*U)-R(P*CP*CP*UP*UP*UP*C)-3')rna2——

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11370.580.8427empty
22560.530.7629empty
31750.430.7327empty
41240.380.7424empty

Interfaces

5 interfaces between chains.

  • C–D · 1176 Ų buried · 24 hydrogen bonds · protein-protein
  • A–B · 992 Ų buried · 17 hydrogen bonds · protein-protein
  • B–D · 582 Ų buried · 5 hydrogen bonds · protein-protein
  • B–E · 411 Ų buried · 13 hydrogen bonds · protein-nucleic
  • D–F · 354 Ų buried · 13 hydrogen bonds · protein-nucleic

Compared structures

  • 5HK0 · Crystal structure of M. tuberculosis MazF-mt3 (Rv1991c) in complex with RNA · the same entry in another collection · chain E against E, TM-score 1.00
  • P9WII3 · AlphaFold monomer V2.0 prediction for endoribonuclease MAZF6 (P9WII3) · a predicted model of the same protein · chain B against A, TM-score 0.97

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