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MolNFT v1 · #178736 · protein + DNA

Structure of drosophila orc bound to gc-rich DNA and CDC6

7JK3 · Origin recognition complex subunit 2: “Structure of drosophila orc bound to gc-rich DNA and CDC6”. Electron microscopy, 2 ligands (ATP, MG), 20 pockets (best druggability 0.88). MolNFT v1 #178736 on GenesisL1: 3D structure, binding…

PDB
7JK3
Type
protein + DNA
Length
2,594 residues
Chains
9
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Origin recognition complex subunit 2; Origin recognition complex subunit 3; Origin…
UniProt
Q24168, Q7K2L1, Q9W102, Q24169, Q9Y1B2, O16810, Q9VSM9
Ligands
ATP, MG
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 9 distinct chains · 53% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BOrigin recognition complex subunit 2protein28548% helix, 11% strandQ24168
COrigin recognition complex subunit 3protein61460% helix, 7% strandQ7K2L1
DOrigin recognition complex subunit 4protein44154% helix, 8% strandQ9W102
EOrigin recognition complex subunit 5protein39848% helix, 10% strandQ24169
FOrigin recognition complex subunit 6protein1776% helix, 0% strandQ9Y1B2
AOrigin recognition complex subunit 1protein40151% helix, 11% strandO16810
GCell division control proteinprotein37254% helix, 10% strandQ9VSM9
HDNA (33-mer)dna33——
IDNA (33-mer)dna33——

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 4 copies · chains D, E, C, A, G
  • MG · Magnesium ion · metal · 4 copies · chains D, E, A, G

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
110230.880.89100ATP, MG
25870.830.8865empty
310110.830.84108empty
49340.790.8268empty
56840.780.8362empty

Interfaces

25 interfaces between chains.

  • D–A · 3810 Ų buried · 36 hydrogen bonds · protein-protein
  • B–C · 3571 Ų buried · 27 hydrogen bonds · protein-protein
  • D–E · 2783 Ų buried · 25 hydrogen bonds · protein-protein
  • A–G · 2269 Ų buried · 16 hydrogen bonds · protein-protein
  • C–E · 2094 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 7JK3 · Structure of Drosophila ORC bound to GC-rich DNA and Cdc6 · the same entry in another collection · chain I against I, TM-score 1.00
  • O16810 · AlphaFold monomer V2.0 prediction for origin recognition complex subunit 1 (O16810) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • Q24169 · AlphaFold monomer V2.0 prediction for origin recognition complex subunit 5 (Q24169) · a predicted model of the same protein · chain E against A, TM-score 0.95
  • Q9Y1B2 · AlphaFold monomer V2.0 prediction for origin recognition complex subunit 6 (Q9Y1B2) · a predicted model of the same protein · chain F against A, TM-score 0.78

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