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RNA polymerase II-SPT4/5-nucleosome-CHD1 structure

Analyse RNA polymerase II-SPT4/5-nucleosome-CHD1 structure in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7NKX
Type
protein + DNA + RNA
Length
5,788 residues
Chains
26
Method
electron microscopy
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, 3.6.4.-
UniProt
P04050, P08518, P16370, P20434, P20435, P20436, P27999, P22139, P38902, P40422, P84233, P62799, P06897, P02281, P32657, A0A6A5PX04, P27692, P20433, P34087
Ligands
ADP, BEF, ZN, MG
Pockets
20 · best druggability 0.89

Structure

electron microscopy · 26 distinct chains · 38% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase II subunit RPB1 (EC 2.7.7.6)protein140942% helix, 15% strandP04050
BDNA-directed RNA polymerase II subunit RPB2 (EC 2.7.7.6)protein111628% helix, 22% strandP08518
CDNA-directed RNA polymerase II subunit RPB3protein26524% helix, 28% strandP16370
EDNA-directed RNA polymerases I, II, and III subunit RPABC1protein21439% helix, 21% strandP20434
FDNA-directed RNA polymerases I, II, and III subunit RPABC2protein8731% helix, 14% strandP20435
HDNA-directed RNA polymerases I, II, and III subunit RPABC3protein1334% helix, 51% strandP20436
IDNA-directed RNA polymerase II subunit RPB9protein1193% helix, 27% strandP27999
JDNA-directed RNA polymerases I, II, and III subunit RPABC5protein6552% helix, 5% strandP22139
KDNA-directed RNA polymerase II subunit RPB11protein11439% helix, 22% strandP38902
LDNA-directed RNA polymerases I, II, and III subunit RPABC4protein440% helix, 16% strandP40422
aHistone H3.2protein7671% helix, 1% strandP84233
bHistone H4protein8066% helix, 5% strandP62799
cHistone H2A type 1protein10353% helix, 6% strandP06897
dHistone H2B 1.1protein9271% helix, 3% strandP02281
eHistone H3.2protein9766% helix, 1% strandP84233
fHistone H4protein7865% helix, 5% strandP62799
gHistone H2A type 1protein9362% helix, 6% strandP06897
hHistone H2B 1.1protein9372% helix, 3% strandP02281
TDNA (139-mer)dna139——
NDNA (128-mer)dna128——
WChromo domain-containing protein 1 (EC 3.6.4.-)protein62244% helix, 16% strandP32657
PRNArna16——
YChromatin elongation factor SPT4protein9830% helix, 21% strandA0A6A5PX04
ZTranscription elongation factor SPT5protein15621% helix, 31% strandP27692
DDNA-directed RNA polymerase II subunit RPB4protein18053% helix, 4% strandP20433
GDNA-directed RNA polymerase II subunit RPB7protein17111% helix, 49% strandP34087

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains W
  • BEF · Beryllium trifluoride ion · ligand · chains W
  • ZN · Zinc ion · metal · 8 copies · chains A, B, C, I, J, L
  • MG · Magnesium ion · metal · chains A, P

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
111770.890.90136empty
28150.860.8985empty
39930.840.8598empty
411870.840.85127empty
57560.840.8791empty

Interfaces

82 interfaces between chains.

  • A–B · 9614 Ų buried · 142 hydrogen bonds · protein-protein
  • T–N · 5745 Ų buried · 436 hydrogen bonds · nucleic-nucleic
  • c–d · 2608 Ų buried · 19 hydrogen bonds · protein-protein
  • g–h · 2598 Ų buried · 26 hydrogen bonds · protein-protein
  • e–f · 2473 Ų buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 7NKX · RNA polymerase II-Spt4/5-nucleosome-Chd1 structure · the same entry in another collection · chain J against J, TM-score 1.00

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