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Crystal structure of 5-carboxycytosine recognition by RNA polymerase II during transcription elongation.

Analyse Crystal structure of 5-carboxycytosine recognition by RNA polymerase II during… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4Y52
Type
protein + DNA + RNA
Length
3,588 residues
Chains
13
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-directed RNA polymerase II subunit RPB1; DNA-directed RNA polymerase II subunit RPB2…
EC
2.7.7.6
UniProt
P04050, P08518, P16370, P20434, P20435, P20436, P27999, P22139, P38902, P40422
Ligands
ZN, MG
Pockets
20 · best druggability 0.89

Structure

x-ray diffraction · 13 distinct chains · 31% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase II subunit RPB1 (EC 2.7.7.6)protein139338% helix, 14% strandP04050
BDNA-directed RNA polymerase II subunit RPB2 (EC 2.7.7.6)protein110329% helix, 25% strandP08518
CDNA-directed RNA polymerase II subunit RPB3protein26624% helix, 23% strandP16370
EDNA-directed RNA polymerases I, II, and III subunit RPABC1protein21437% helix, 21% strandP20434
FDNA-directed RNA polymerases I, II, and III subunit RPABC2protein8431% helix, 14% strandP20435
HDNA-directed RNA polymerases I, II, and III subunit RPABC3protein1332% helix, 44% strandP20436
IDNA-directed RNA polymerase II subunit RPB9protein1194% helix, 25% strandP27999
JDNA-directed RNA polymerases I, II, and III subunit RPABC5protein6543% helix, 5% strandP22139
KDNA-directed RNA polymerase II subunit RPB11protein11436% helix, 24% strandP38902
LDNA-directed RNA polymerases I, II, and III subunit RPABC4protein450% helix, 16% strandP40422
TDNA (29-mer)dna29——
NDNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3')dna14——
RRNA (5'-D(*AP*UP*GP*GP*AP*GP*AP*GP*G)-3')rna9——

Ligands and binding sites

  • ZN · Zinc ion · metal · 8 copies · chains A, B, C, I, J, L
  • MG · Magnesium ion · metal · chains A, R

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
111030.890.90127empty
25950.840.9055empty
37670.840.8777empty
45880.790.8558empty
59380.780.8182empty

Interfaces

30 interfaces between chains.

  • A–B · 9797 Ų buried · 152 hydrogen bonds · protein-protein
  • A–E · 2210 Ų buried · 26 hydrogen bonds · protein-protein
  • C–K · 2136 Ų buried · 14 hydrogen bonds · protein-protein
  • A–F · 1826 Ų buried · 15 hydrogen bonds · protein-protein
  • B–C · 1787 Ų buried · 27 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 4Y52 · Crystal structure of 5-Carboxycytosine Recognition by RNA Polymerase II during… · the same entry in another collection · chain A against A, TM-score 1.00

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