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MolNFT v1 · #191446 · protein + DNA

Open state of RFC:PCNA bound to a nicked dsdna

8DR7 · Replication factor C subunit 1: “Open state of RFC:PCNA bound to a nicked dsdna”. Electron microscopy, 3 ligands (AGS, GDP, MG), 20 pockets (best druggability 0.86). MolNFT v1 #191446 on GenesisL1: 3D structure, binding sites and…

PDB
8DR7
Type
protein + DNA
Length
2,649 residues
Chains
11
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Replication factor C subunit 1; Replication factor C subunit 4; Replication factor C…
UniProt
P38630, P40339, P38629, P40348, P38251, A0A6B7JGY6
Ligands
AGS, GDP, MG
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 11 distinct chains · 46% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReplication factor C subunit 1protein49754% helix, 7% strandP38630
BReplication factor C subunit 4protein31860% helix, 9% strandP40339
CReplication factor C subunit 3protein33061% helix, 9% strandP38629
DReplication factor C subunit 2protein33259% helix, 9% strandP40348
EReplication factor C subunit 5protein35255% helix, 14% strandP38251
FProliferating cell nuclear antigenprotein25719% helix, 47% strandA0A6B7JGY6
GProliferating cell nuclear antigenprotein25618% helix, 43% strandA0A6B7JGY6
HProliferating cell nuclear antigenprotein25816% helix, 38% strandA0A6B7JGY6
IDNA (26-mer)dna26——
JDNA (5'-D(P*GP*GP*CP*CP*CP*CP*CP*CP*CP*GP*GP*C)-3')dna12——
KDNA (5'-D(P*AP*GP*GP*GP*GP*GP*GP*GP*GP*GP*G)-3')dna11——

Ligands and binding sites

  • AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 4 copies · chains A, B, C, D, E
  • GDP · Guanosine-5'-diphosphate · ligand · chains A, 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
18300.860.89112empty
211050.860.87113GDP
31870.810.9632MG, AGS
41990.810.9531MG, AGS
51960.810.9535MG, AGS

Interfaces

30 interfaces between chains.

  • A–E · 2970 Ų buried · 32 hydrogen bonds · protein-protein
  • B–C · 2720 Ų buried · 32 hydrogen bonds · protein-protein
  • D–E · 2688 Ų buried · 31 hydrogen bonds · protein-protein
  • C–D · 2547 Ų buried · 27 hydrogen bonds · protein-protein
  • A–B · 2492 Ų buried · 31 hydrogen bonds · protein-protein

Compared structures

  • 8DR7 · Open state of RFC:PCNA bound to a nicked dsDNA · the same entry in another collection · chain K against K, TM-score 1.00
  • 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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