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MolNFT v1 · #187718 · protein + DNA

Open state of RAD24-RFC:9-1-1 bound to a 5' SS/DSDNA junction

7ST9 · Checkpoint protein RAD24: “Open state of RAD24-RFC:9-1-1 bound to a 5' SS/DSDNA junction”. Electron microscopy, 3 ligands (AGS, ADP, MG), 20 pockets (best druggability 0.83). MolNFT v1 #187718 on GenesisL1: 3D structure, binding…

PDB
7ST9
Type
protein + DNA
Length
2,837 residues
Chains
10
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Checkpoint protein RAD24; Replication factor C subunit 4; Replication factor C subunit 3…
UniProt
P32641, P40339, P38629, P40348, P38251, P48581, Q08949, Q02574
Ligands
AGS, ADP, MG
Pockets
20 · best druggability 0.83

Structure

electron microscopy · 10 distinct chains · 47% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACheckpoint protein RAD24protein52256% helix, 6% strandP32641
BReplication factor C subunit 4protein31562% helix, 9% strandP40339
CReplication factor C subunit 3protein32761% helix, 9% strandP38629
DReplication factor C subunit 2protein33559% helix, 9% strandP40348
EReplication factor C subunit 5protein35456% helix, 14% strandP38251
FDNA damage checkpoint control protein RAD17protein29323% helix, 43% strandP48581
GDNA damage checkpoint protein 1protein34025% helix, 39% strandQ08949
HDNA damage checkpoint control protein MEC3protein31625% helix, 38% strandQ02574
JDNA (50-mer)dna25——
IDNA (5'- D(P*CP*GP*CP*TP*CP*CP*TP*TP*CP*CP*TP*GP*AP*CP*TP*CP*GP*TP*CP*C)-3')dna10——

Ligands and binding sites

  • AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 4 copies · chains A, B, C, D, E
  • ADP · Adenosine-5'-diphosphate · ligand · chains E
  • MG · Magnesium ion · metal · 4 copies · chains A, B, C, D, E

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
15780.830.8969ADP
22200.820.9636MG, AGS
31980.820.9643MG, AGS
45790.810.8753empty
57690.810.8579empty

Interfaces

24 interfaces between chains.

  • A–E · 3287 Ų buried · 34 hydrogen bonds · protein-protein
  • D–E · 2829 Ų buried · 40 hydrogen bonds · protein-protein
  • A–B · 2673 Ų buried · 32 hydrogen bonds · protein-protein
  • B–C · 2472 Ų buried · 32 hydrogen bonds · protein-protein
  • C–D · 2415 Ų buried · 34 hydrogen bonds · protein-protein

Compared structures

  • 7ST9 · Open state of Rad24-RFC:9-1-1 bound to a 5' ss/dsDNA junction · the same entry in another collection · chain I against I, TM-score 1.00
  • Q08949 · AlphaFold monomer V2.0 prediction for DNA damage checkpoint protein 1 (Q08949) · a predicted model of the same protein · chain G against A, TM-score 0.99
  • P40348 · AlphaFold monomer V2.0 prediction for replication factor C subunit 2 (P40348) · a predicted model of the same protein · chain D against A, TM-score 0.96

Analyse

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