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MolNFT v1 · #157305 · protein + RNA

Cryo-EM structure of ternary csm-crrna-target RNA with anti-tag sequence complex in type III-a CRISPR-CAS system

6MUT · Uncharacterized protein CSM1: “Cryo-EM structure of ternary csm-crrna-target RNA with anti-tag sequence complex in type III-a CRISPR-CAS…”. Electron microscopy, 1 ligand (ZN), 20 pockets (best druggability 0.83). MolNFT v1 #157305…

PDB
6MUT
Type
protein + RNA
Length
2,154 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein CSM1; Uncharacterized protein CSM2; Uncharacterized protein CSM3…
UniProt
B6YWB8, B6YWB9, B6YWC0, B6YWC1, B6YWC2
Ligands
ZN
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 8 distinct chains · 32% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized protein CSM1protein74739% helix, 13% strandB6YWB8
BUncharacterized protein CSM2protein16251% helix, 0% strandB6YWB9
CUncharacterized protein CSM3protein27620% helix, 26% strandB6YWC0
DUncharacterized protein CSM3protein26721% helix, 21% strandB6YWC0
EUncharacterized protein CSM4protein28623% helix, 33% strandB6YWC1
GRNA (5'- R(*GP*UP*GP*GP*AP*AP*AP*GP*GP*CP*GP*GP*GP*CP*AP*GP*AP*GP*GP*C)-3')rna20——
HRNA (5'- R(P*CP*CP*UP*CP*UP*GP*CP*CP*CP*GP*CP*CP*UP*UP*UP*CP*CP*AP*C)-3')rna19——
FUncharacterized protein CSM5protein37731% helix, 16% strandB6YWC2

Ligands and binding sites

  • ZN · Zinc ion · metal · 3 copies · chains A, C, D

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111470.830.85111empty
24710.800.8750empty
31300.780.9620empty
45320.760.8355empty
53030.760.8838empty

Interfaces

24 interfaces between chains.

  • C–D · 2246 Ų buried · 35 hydrogen bonds · protein-protein
  • C–E · 1748 Ų buried · 20 hydrogen bonds · protein-protein
  • E–G · 1516 Ų buried · 36 hydrogen bonds · protein-nucleic
  • A–E · 1466 Ų buried · 15 hydrogen bonds · protein-protein
  • C–G · 1321 Ų buried · 34 hydrogen bonds · protein-nucleic

Compared structures

  • 6MUT · Cryo-EM structure of ternary Csm-crRNA-target RNA with anti-tag sequence complex in type… · the same entry in another collection · chain F against F, TM-score 1.00
  • B6YWB8 · AlphaFold monomer V2.0 prediction for CRISPR system single-strand- specific… · a predicted model of the same protein · chain A against A, TM-score 0.98
  • B6YWC1 · AlphaFold monomer V2.0 prediction for CRISPR system cms protein CSM4 (B6YWC1) · a predicted model of the same protein · chain E against A, TM-score 0.96

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