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MolNFT v1 · #122439 · protein

Structure of RNA polymerase II-TFG1 peptide complex

5IP7 · DNA-directed RNA polymerase II subunit RPB1: “Structure of RNA polymerase II-TFG1 peptide complex”. X-ray diffraction, 2 ligands (ZN, MG), 20 pockets (best druggability 0.89). MolNFT v1 #122439 on GenesisL1: 3D structure, binding…

PDB
5IP7
Type
protein
Length
3,949 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, P20433, P20434, P20435, P34087, P20436, P27999, P22139, P38902, P40422
Ligands
ZN, MG
Pockets
20 · best druggability 0.89

Structure

x-ray diffraction · 13 distinct chains · 33% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed RNA polymerase II subunit RPB1 (EC 2.7.7.6)protein142141% helix, 16% strandP04050
BDNA-directed RNA polymerase II subunit RPB2 (EC 2.7.7.6)protein111829% helix, 25% strandP08518
CDNA-directed RNA polymerase II subunit RPB3protein26624% helix, 28% strandP16370
DDNA-directed RNA polymerase II subunit RPB4protein18054% helix, 6% strandP20433
EDNA-directed RNA polymerases I, II, and III subunit RPABC1protein21441% helix, 23% strandP20434
FDNA-directed RNA polymerases I, II, and III subunit RPABC2protein8730% helix, 16% strandP20435
GDNA-directed RNA polymerase II subunit RPB7protein17113% helix, 50% strandP34087
HDNA-directed RNA polymerases I, II, and III subunit RPABC3protein1332% helix, 47% strandP20436
IDNA-directed RNA polymerase II subunit RPB9protein1194% helix, 29% strandP27999
JDNA-directed RNA polymerases I, II, and III subunit RPABC5protein6546% helix, 2% strandP22139
KDNA-directed RNA polymerase II subunit RPB11protein11438% helix, 24% strandP38902
LDNA-directed RNA polymerases I, II, and III subunit RPABC4protein460% helix, 26% strandP40422
QPhe-ile-lys-arg-asp-arg-met-arg-arg-asn-phe-leu-arg-met- argprotein1553% helix, 7% strand—

Ligands and binding sites

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

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
19770.890.90115empty
210460.840.85102empty
35180.800.8770empty
45350.790.8652empty
55970.790.8562empty

Interfaces

29 interfaces between chains.

  • A–B · 9637 Ų buried · 155 hydrogen bonds · protein-protein
  • D–G · 2509 Ų buried · 40 hydrogen bonds · protein-protein
  • A–E · 2193 Ų buried · 28 hydrogen bonds · protein-protein
  • A–F · 2180 Ų buried · 21 hydrogen bonds · protein-protein
  • C–K · 2134 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 5IP7 · Structure of RNA Polymerase II-Tfg1 peptide complex · the same entry in another collection · chain A against A, TM-score 1.00

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