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Conjugative relaxase trwc in complex with orit DNA. metal- bound structure

Analyse Conjugative relaxase trwc in complex with orit DNA. metal- bound structure in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1S6M
Type
protein + DNA
Length
313 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (25-mer); Trwc
UniProt
Q47673
Ligands
NI
Pockets
5 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BDNA (25-mer)dna25——
ATrwcprotein28839% helix, 21% strandQ47673

Ligands and binding sites

  • NI · Nickel (II) ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14740.720.8237empty
21020.540.8421empty
31200.490.8029empty
4620.320.7712empty
5690.320.7513empty

Interfaces

1 interface between chains.

  • B–A · 2277 Ų buried · 47 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 1S6M · Conjugative Relaxase Trwc In Complex With Orit DNA. Metal-Bound Structure · the same entry in another collection · chain B against B, TM-score 1.00

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