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MolNFT v1 · #140518 · protein

Crystal structure of human PCNA in complex with apim of human ZRANB3

5YD8 · Proliferating cell nuclear antigen: “Crystal structure of human PCNA in complex with apim of human ZRANB3”. X-ray diffraction, 3 pockets (best druggability 0.40). MolNFT v1 #140518 on GenesisL1: 3D structure, binding sites and…

PDB
5YD8
Type
protein
Length
764 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Proliferating cell nuclear antigen; ZRANB3
EC
3.6.4.-, 3.1.-.-
UniProt
P12004, Q5FWF4
Pockets
3 · best druggability 0.40

Structure

x-ray diffraction · 6 distinct chains · 19% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
YProliferating cell nuclear antigenprotein24320% helix, 47% strandP12004
XProliferating cell nuclear antigenprotein24818% helix, 48% strandP12004
ZProliferating cell nuclear antigenprotein24719% helix, 48% strandP12004
WZRANB3 (EC 3.6.4.-, 3.1.-.-)protein838% helix, 0% strandQ5FWF4
UZRANB3 (EC 3.6.4.-, 3.1.-.-)protein1127% helix, 27% strandQ5FWF4
VZRANB3 (EC 3.6.4.-, 3.1.-.-)protein743% helix, 0% strandQ5FWF4

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11110.400.7623empty
21090.380.7519empty
3690.330.7620empty

Interfaces

6 interfaces between chains.

  • X–Z · 713 Ų buried · 16 hydrogen bonds · protein-protein
  • Y–X · 707 Ų buried · 11 hydrogen bonds · protein-protein
  • Y–Z · 703 Ų buried · 13 hydrogen bonds · protein-protein
  • X–U · 682 Ų buried · 9 hydrogen bonds · protein-protein
  • Z–W · 553 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 5YD8 · Crystal structure of human PCNA in complex with APIM of human ZRANB3 · the same entry in another collection · chain V against V, TM-score 1.00
  • Q5FWF4 · AlphaFold monomer V2.0 prediction for DNA annealing helicase and endonuclease ZRANB3… · a predicted model of the same protein · chain V against A, TM-score 0.71

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