MolNFT v1 · #66387 · protein + DNA + RNA
Complete RNA polymerase II elongation complex I with a T-U mismatch
3HOU · DNA-directed RNA polymerase II subunit RPB1: “Complete RNA polymerase II elongation complex I with a T-U mismatch”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.89). MolNFT v1 #66387 on GenesisL1: 3D structure…
- PDB
- 3HOU
- Type
- protein + DNA + RNA
- Length
- 7,898 residues
- Chains
- 30
- 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
- Pockets
- 20 · best druggability 0.89
Structure
x-ray diffraction · 15 distinct chains · 31% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, M | DNA-directed RNA polymerase II subunit RPB1 (EC 2.7.7.6) | protein | 1416 | 40% helix, 15% strand | P04050 |
| B, N | DNA-directed RNA polymerase II subunit RPB2 (EC 2.7.7.6) | protein | 1104 | 27% helix, 22% strand | P08518 |
| C, O | DNA-directed RNA polymerase II subunit RPB3 (EC 2.7.7.6) | protein | 266 | 25% helix, 22% strand | P16370 |
| D, P | DNA-directed RNA polymerase II subunit RPB4 (EC 2.7.7.6) | protein | 178 | 50% helix, 4% strand | P20433 |
| E, Q | DNA-directed RNA polymerases I, II, and III subunit RPABC1 (EC 2.7.7.6) | protein | 214 | 35% helix, 21% strand | P20434 |
| F, R | DNA-directed RNA polymerases I, II, and III subunit RPABC2 (EC 2.7.7.6) | protein | 87 | 30% helix, 16% strand | P20435 |
| G, S | DNA-directed RNA polymerase II subunit RPB7 (EC 2.7.7.6) | protein | 171 | 11% helix, 47% strand | P34087 |
| H, T | DNA-directed RNA polymerases I, II, and III subunit RPABC3 (EC 2.7.7.6) | protein | 134 | 2% helix, 42% strand | P20436 |
| I, U | DNA-directed RNA polymerase II subunit RPB9 (EC 2.7.7.6) | protein | 119 | 0% helix, 22% strand | P27999 |
| J, V | DNA-directed RNA polymerases I, II, and III subunit RPABC5 (EC 2.7.7.6) | protein | 65 | 48% helix, 2% strand | P22139 |
| K, W | DNA-directed RNA polymerase II subunit RPB11 (EC 2.7.7.6) | protein | 114 | 38% helix, 22% strand | P38902 |
| L, X | DNA-directed RNA polymerases I, II, and III subunit RPABC4 (EC 2.7.7.6) | protein | 46 | 0% helix, 11% strand | P40422 |
| 1, 4 | 5'- D(*AP*GP*CP*TP*CP*A*AP*GP*TP*AP*GP*TP*TP*AP*TP*GP*CP*CP*(BR U)P*GP*GP*TP*CP*AP*TP*T)-3' | dna | 18 | — | — |
| 2, 5 | 5'-D(*A*AP*CP*TP*AP*CP*TP*TP*GP*AP*GP*CP*T)-3' | dna | 6 | — | — |
| 3, 6 | 5'- R(*UP*GP*CP*AP*UP*U*UP*CP*GP*AP*CP*CP*AP*GP*GP*CP*U)-3' | rna | 11 | — | — |
Ligands and binding sites
- ZN · Zinc ion · metal · 16 copies · chains A, B, C, I, J, L, M, N, O, U, V, X
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1041 | 0.89 | 0.91 | 128 | empty |
| 2 | 993 | 0.89 | 0.91 | 119 | empty |
| 3 | 1048 | 0.89 | 0.90 | 113 | empty |
| 4 | 1010 | 0.89 | 0.90 | 110 | empty |
| 5 | 1100 | 0.84 | 0.85 | 91 | empty |
Interfaces
79 interfaces between chains.
- A–B · 9607 Ų buried · 159 hydrogen bonds · protein-protein
- M–N · 9602 Ų buried · 152 hydrogen bonds · protein-protein
- D–G · 2398 Ų buried · 29 hydrogen bonds · protein-protein
- P–S · 2372 Ų buried · 24 hydrogen bonds · protein-protein
- M–Q · 2195 Ų buried · 31 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nucleotide modification).
Compared structures
- 3HOU · Complete RNA polymerase II elongation complex I with a T-U mismatch · the same entry in another collection · chain D against D, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P04050
- Every structure of UniProt P08518
- Every structure of UniProt P16370
- Every structure of UniProt P20433
- Every structure of UniProt P20434
- Every structure of UniProt P20435
- Every structure of UniProt P34087
- Every structure of UniProt P20436
- Every structure of UniProt P27999
- Every structure of UniProt P22139
- Every structure of UniProt P38902
- Every structure of UniProt P40422
- Elsewhere: RCSB PDB 3HOU · PDBe 3HOU · UniProt P04050 · UniProt P08518 · UniProt P16370 · UniProt P20433 · UniProt P20434 · UniProt P20435 · UniProt P34087 · UniProt P20436 · UniProt P27999 · UniProt P22139 · UniProt P38902 · UniProt P40422
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