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Open state of RFC:PCNA bound to a 3' SS/DSDNA junction (DNA2) without ntd

Analyse Open state of RFC:PCNA bound to a 3' SS/DSDNA junction (DNA2) without ntd in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
8DR4
Type
protein + DNA
Length
2,662 residues
Chains
12
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 · 12 distinct chains · 46% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReplication factor C subunit 1protein49756% helix, 7% strandP38630
BReplication factor C subunit 4protein31860% helix, 9% strandP40339
CReplication factor C subunit 3protein33060% helix, 9% strandP38629
DReplication factor C subunit 2protein33260% helix, 9% strandP40348
EReplication factor C subunit 5protein35255% helix, 13% strandP38251
FProliferating cell nuclear antigenprotein25719% helix, 46% strandP15873
GProliferating cell nuclear antigenprotein25619% helix, 45% strandP15873
HProliferating cell nuclear antigenprotein25817% helix, 39% strandP15873
IDNA (5'- D(P*TP*TP*TP*CP*GP*GP*GP*GP*GP*GP*GP*CP*CP*GP*GP*GP*GP*GP*G)-3')dna19——
JDNA (5'- D(P*CP*CP*CP*CP*CP*CP*GP*GP*CP*CP*CP*CP*CP*CP*CP*GP*GP*C)-3')dna18——
KDNA (5'-D(P*AP*AP*GP*GP*GP*GP*GP*GP*GP*GP*GP*G)-3')dna12——
LDNA (5'-D(P*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*TP*TP*T)-3')dna13——

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
111170.840.85122empty
26050.840.8979empty
32070.810.9541MG, AGS
44150.810.9068empty
51730.810.9634MG, AGS

Interfaces

34 interfaces between chains.

  • A–E · 2982 Ų buried · 40 hydrogen bonds · protein-protein
  • D–E · 2697 Ų buried · 36 hydrogen bonds · protein-protein
  • B–C · 2630 Ų buried · 37 hydrogen bonds · protein-protein
  • C–D · 2593 Ų buried · 27 hydrogen bonds · protein-protein
  • A–B · 2491 Ų buried · 35 hydrogen bonds · protein-protein

Compared structures

  • 8DR4 · Open state of RFC:PCNA bound to a 3' ss/dsDNA junction (DNA2) without NTD · the same entry in another collection · chain L against L, TM-score 1.00

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