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Structure of mcrbc without DNA binding domains (class 1)

Analyse Structure of mcrbc without DNA binding domains (class 1) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6HZ5
Type
protein
Length
4,120 residues
Chains
14
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5-methylcytosine-specific restriction enzyme B; Protein mcrc
EC
3.1.21.-
UniProt
P15005, P15006
Ligands
GNP, GDP, MG
Pockets
20 · best druggability 0.87

Structure

electron microscopy · 4 distinct chains · 44% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, G, H, I5-methylcytosine-specific restriction enzyme B (EC 3.1.21.-)protein29047% helix, 13% strandP15005
D, J5-methylcytosine-specific restriction enzyme B (EC 3.1.21.-)protein28442% helix, 12% strandP15005
E, F, K, L5-methylcytosine-specific restriction enzyme B (EC 3.1.21.-)protein28545% helix, 14% strandP15005
M, NProtein mcrcprotein33642% helix, 19% strandP15006

Ligands and binding sites

  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 6 copies · chains A, B, C, D, G, H, I, J
  • GDP · Guanosine-5'-diphosphate · ligand · 6 copies · chains D, E, F, A, J, K, L, G
  • MG · Magnesium ion · metal · 6 copies · chains A, B, C, D, G, H, I, J

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
111880.870.88128empty
27530.870.9089empty
37520.860.8992empty
410760.860.87127empty
510360.850.86134empty

Interfaces

29 interfaces between chains.

  • A–B · 2185 Ų buried · 28 hydrogen bonds · protein-protein
  • G–H · 2159 Ų buried · 27 hydrogen bonds · protein-protein
  • H–I · 2158 Ų buried · 21 hydrogen bonds · protein-protein
  • B–C · 2108 Ų buried · 17 hydrogen bonds · protein-protein
  • I–J · 1911 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 6HZ5 · Structure of McrBC without DNA binding domains (Class 1) · the same entry in another collection · chain N against N, TM-score 1.00

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