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MolNFT v1 · #10827 · protein + DNA

Crystal structure of the E.COLI seqa protein complexed with N6-methyladenine- guanine mismatch DNA

1J3E · 5'-D(*AP*AP*GP*GP*(6MA)P*TP*CP*CP*AP*A)-3': “Crystal structure of the E.COLI seqa protein complexed with N6-methyladenine- guanine mismatch DNA”. X-ray diffraction, 1 pocket (best druggability 0.25). MolNFT v1 #10827 on GenesisL1…

PDB
1J3E
Type
protein + DNA
Length
135 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*AP*AP*GP*GP*(6MA)P*TP*CP*CP*AP*A)-3'; 5'-D(*TP*TP*GP*GP*AP*GP*CP*CP*TP*T)-3'; Seqa…
UniProt
P36658
Pockets
1 · best druggability 0.25

Structure

x-ray diffraction · 3 distinct chains · 57% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B5'-D(*AP*AP*GP*GP*(6MA)P*TP*CP*CP*AP*A)-3'dna10——
C5'-D(*TP*TP*GP*GP*AP*GP*CP*CP*TP*T)-3'dna10——
ASeqa proteinprotein11557% helix, 7% strandP36658

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1550.250.7312empty

Interfaces

3 interfaces between chains.

  • C–A · 474 Ų buried · 16 hydrogen bonds · protein-nucleic
  • B–C · 448 Ų buried · 43 hydrogen bonds · nucleic-nucleic
  • B–A · 424 Ų buried · 8 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 1J3E · Crystal Structure of the E.coli SeqA protein complexed with N6-methyladenine- guanine… · the same entry in another collection · chain B against B, TM-score 1.00

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