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Hincii bound to CA2+ and cognate DNA gtcgac

Analyse Hincii bound to CA2+ and cognate DNA gtcgac in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1TW8
Type
protein + DNA
Length
1,077 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*GP*CP*CP*GP*GP*TP*CP*GP*AP*CP*CP*GP*G)-3'; Hinc II endonuclease
EC
3.1.21.4
UniProt
E1B6R0
Ligands
CA, NA
Pockets
13 · best druggability 0.82

Structure

x-ray diffraction · 4 distinct chains · 42% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
E, F, G, H5'-D(*GP*CP*CP*GP*GP*TP*CP*GP*AP*CP*CP*GP*G)-3'dna13——
A, CHinc II endonuclease (EC 3.1.21.4)protein25745% helix, 21% strandE1B6R0
BHinc II endonuclease (EC 3.1.21.4)protein25641% helix, 20% strandE1B6R0
DHinc II endonuclease (EC 3.1.21.4)protein25541% helix, 21% strandE1B6R0

Ligands and binding sites

  • CA · Calcium ion · metal · 6 copies · chains E, F, H, A, B, C, G, D
  • NA · Sodium ion · metal · 4 copies · chains F, A, E, B, H, C, G, D

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

Pockets

13 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18980.820.8477empty
24620.730.8256empty
32760.650.8323empty
42840.650.8223empty
54800.650.7734empty

Interfaces

16 interfaces between chains.

  • A–B · 1826 Ų buried · 11 hydrogen bonds · protein-protein
  • C–D · 1728 Ų buried · 12 hydrogen bonds · protein-protein
  • E–B · 1018 Ų buried · 24 hydrogen bonds · protein-nucleic
  • H–C · 1009 Ų buried · 21 hydrogen bonds · protein-nucleic
  • G–D · 1005 Ų buried · 23 hydrogen bonds · protein-nucleic

Compared structures

  • 1TW8 · HincII bound to Ca2+ and cognate DNA GTCGAC · the same entry in another collection · chain E against E, TM-score 1.00

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