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MolNFT v1 · #191445 · protein + DNA

Closed state of RFC:PCNA bound to a nicked dsdna

8DR6 · Replication factor C subunit 1: “Closed state of RFC:PCNA bound to a nicked dsdna”. Electron microscopy, 3 ligands (AGS, ADP, MG), 20 pockets (best druggability 0.84). MolNFT v1 #191445 on GenesisL1: 3D structure, binding sites and…

PDB
8DR6
Type
protein + DNA
Length
2,671 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, P15873
Ligands
AGS, ADP, MG
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 11 distinct chains · 47% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReplication factor C subunit 1protein49357% helix, 7% strandP38630
BReplication factor C subunit 4protein31860% helix, 9% strandP40339
CReplication factor C subunit 3protein33061% helix, 9% strandP38629
DReplication factor C subunit 2protein34359% helix, 9% strandP40348
EReplication factor C subunit 5protein35455% helix, 13% strandP38251
FProliferating cell nuclear antigenprotein25820% helix, 47% strandP15873
GProliferating cell nuclear antigenprotein25719% helix, 43% strandP15873
HProliferating cell nuclear antigenprotein25516% helix, 44% strandP15873
IDNA (32-mer)dna32——
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*TP*TP*AP*GP*GP*GP*GP*GP*GP*GP*GP*GP*A)-3')dna13——

Ligands and binding sites

  • AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 4 copies · chains A, B, C, D, E
  • ADP · Adenosine-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
15960.840.8978empty
22960.840.9551AGS
39430.830.8491empty
43620.820.9155ADP
51740.810.9634MG, AGS

Interfaces

34 interfaces between chains.

  • A–E · 3128 Ų buried · 32 hydrogen bonds · protein-protein
  • D–E · 2982 Ų buried · 38 hydrogen bonds · protein-protein
  • B–C · 2647 Ų buried · 32 hydrogen bonds · protein-protein
  • C–D · 2573 Ų buried · 29 hydrogen bonds · protein-protein
  • A–B · 2389 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 8DR6 · Closed state of RFC:PCNA bound to a nicked dsDNA · the same entry in another collection · chain K against K, 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 0.95

Analyse

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