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MolNFT v1 · #173832 · protein + DNA

Crystal structure of the hth DNA binding protein ardk from R388 plasmid bound to IR3 DNA

7BCB · Kora domain-containing protein: “Crystal structure of the hth DNA binding protein ardk from R388 plasmid bound to IR3 DNA”. X-ray diffraction, 1 pocket (best druggability 0.67). MolNFT v1 #173832 on GenesisL1: 3D structure, binding…

PDB
7BCB
Type
protein + DNA
Length
227 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Kora domain-containing protein; DNA (5'- D(*TP*AP*AP*TP*GP*TP*CP*AP*AP*AP*TP*AP*TP*TP*GP*A…
UniProt
Q6I6B7
Pockets
1 · best druggability 0.67

Structure

x-ray diffraction · 4 distinct chains · 64% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AKora domain-containing proteinprotein9464% helix, 7% strandQ6I6B7
BKora domain-containing proteinprotein9764% helix, 7% strandQ6I6B7
CDNA (5'- D(*TP*AP*AP*TP*GP*TP*CP*AP*AP*AP*TP*AP*TP*TP*GP*AP*CP*A)-3')dna18——
DDNA (5'- D(*TP*GP*TP*CP*AP*AP*TP*AP*TP*TP*TP*GP*AP*CP*AP*TP*TP*A)-3')dna18——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18270.670.7564empty

Interfaces

6 interfaces between chains.

  • A–B · 1336 Ų buried · 20 hydrogen bonds · protein-protein
  • C–D · 777 Ų buried · 61 hydrogen bonds · nucleic-nucleic
  • B–D · 418 Ų buried · 9 hydrogen bonds · protein-nucleic
  • A–C · 417 Ų buried · 13 hydrogen bonds · protein-nucleic
  • B–C · 409 Ų buried · 11 hydrogen bonds · protein-nucleic

Compared structures

  • 7BCB · Crystal structure of the HTH DNA binding protein ArdK from R388 plasmid bound to IR3 DNA · the same entry in another collection · chain A against A, TM-score 1.00

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