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MolNFT v1 · #191439 · protein + DNA

Intermediate state of RFC:PCNA bound to a 3' SS/DSDNA junction

8DQZ · Replication factor C subunit 1: “Intermediate state of RFC:PCNA bound to a 3' SS/DSDNA junction”. Electron microscopy, 3 ligands (AGS, GDP, MG), 20 pockets (best druggability 0.84). MolNFT v1 #191439 on GenesisL1: 3D structure…

PDB
8DQZ
Type
protein + DNA
Length
2,639 residues
Chains
10
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, P15873
Ligands
AGS, GDP, MG
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 10 distinct chains · 45% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReplication factor C subunit 1protein49254% helix, 7% strandP38630
BReplication factor C subunit 4protein31860% helix, 9% strandP40339
CReplication factor C subunit 3protein32961% helix, 9% strandP38629
DReplication factor C subunit 2protein33660% helix, 8% strandP40348
EReplication factor C subunit 5protein35453% helix, 13% strandP38251
FProliferating cell nuclear antigenprotein25818% helix, 45% strandP15873
GProliferating cell nuclear antigenprotein25716% helix, 45% strandP15873
HProliferating cell nuclear antigenprotein25517% helix, 40% strandP15873
IDNA (5'- D(P*TP*TP*TP*TP*TP*TP*CP*GP*GP*GP*GP*GP*GP*GP*CP*CP*CP*CP*GP*GP*GP*G) -3')dna22——
JDNA (5'- D(P*CP*CP*CP*CP*GP*GP*GP*GP*CP*CP*CP*CP*CP*CP*CP*GP*GP*C)-3')dna18——

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
16480.840.8989empty
29450.840.8591empty
32480.830.9550MG, AGS
43680.820.9155GDP
51580.820.9622empty

Interfaces

30 interfaces between chains.

  • A–E · 3076 Ų buried · 34 hydrogen bonds · protein-protein
  • B–C · 2760 Ų buried · 35 hydrogen bonds · protein-protein
  • D–E · 2677 Ų buried · 31 hydrogen bonds · protein-protein
  • C–D · 2524 Ų buried · 27 hydrogen bonds · protein-protein
  • A–B · 2448 Ų buried · 33 hydrogen bonds · protein-protein

Compared structures

  • 8DQZ · Intermediate state of RFC:PCNA bound to a 3' ss/dsDNA junction · the same entry in another collection · chain E against E, TM-score 1.00
  • P38251 · AlphaFold monomer V2.0 prediction for replication factor C subunit 5 (P38251) · a predicted model of the same protein · chain E against A, TM-score 0.96
  • 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 0.95

Analyse

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