MolNFT v1 · #31788 · protein + RNA
Complete RNA polymerase II-RNA inhibitor complex
2B63 · 31-mer: “Complete RNA polymerase II-RNA inhibitor complex”. X-ray diffraction, 2 ligands (ZN, MG), 20 pockets (best druggability 0.89). MolNFT v1 #31788 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2B63
- Type
- protein + RNA
- Length
- 3,949 residues
- Chains
- 13
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 31-mer; DNA-directed RNA polymerase II largest subunit; DNA-directed RNA polymerase II…
- 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 · 29% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| R | 31-mer | rna | 31 | — | — |
| A | DNA-directed RNA polymerase II largest subunit (EC 2.7.7.6) | protein | 1416 | 37% helix, 15% strand | P04050 |
| B | DNA-directed RNA polymerase II 140 kda polypeptide (EC 2.7.7.6) | protein | 1112 | 27% helix, 20% strand | P08518 |
| C | DNA-directed RNA polymerase II 45 kda polypeptide (EC 2.7.7.6) | protein | 266 | 21% helix, 19% strand | P16370 |
| D | DNA-directed RNA polymerase II 32 kda polypeptide (EC 2.7.7.6) | protein | 177 | 45% helix, 5% strand | P20433 |
| E | DNA-directed RNA polymerases I, II, and III 27 kda polypeptide (EC 2.7.7.6) | protein | 214 | 32% helix, 19% strand | P20434 |
| F | DNA-directed RNA polymerases I, II, and III 23 kda polypeptide (EC 2.7.7.6) | protein | 84 | 30% helix, 15% strand | P20435 |
| G | DNA-directed RNA polymerase II 19 kda polypeptide (EC 2.7.7.6) | protein | 171 | 8% helix, 46% strand | P34087 |
| H | DNA-directed RNA polymerases I, II, and III 14.5 kda polypeptide (EC 2.7.7.6) | protein | 133 | 2% helix, 38% strand | P20436 |
| I | DNA-directed RNA polymerase II subunit 9 (EC 2.7.7.6) | protein | 119 | 3% helix, 20% strand | P27999 |
| J | DNA-directed RNA polymerases I/II/III subunit 10 (EC 2.7.7.6) | protein | 65 | 48% helix, 2% strand | P22139 |
| K | DNA-directed RNA polymerase II 13.6 kda polypeptide (EC 2.7.7.6) | protein | 115 | 37% helix, 22% strand | P38902 |
| L | DNA-directed RNA polymerases I, II, and III 7.7 kda polypeptide (EC 2.7.7.6) | protein | 46 | 0% helix, 9% strand | P40422 |
Ligands and binding sites
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 | 1054 | 0.89 | 0.90 | 113 | empty |
| 2 | 1096 | 0.84 | 0.85 | 88 | empty |
| 3 | 521 | 0.80 | 0.86 | 60 | empty |
| 4 | 782 | 0.80 | 0.83 | 64 | empty |
| 5 | 379 | 0.79 | 0.88 | 54 | empty |
Interfaces
31 interfaces between chains.
- A–B · 9738 Ų buried · 126 hydrogen bonds · protein-protein
- D–G · 2306 Ų buried · 14 hydrogen bonds · protein-protein
- A–E · 2205 Ų buried · 24 hydrogen bonds · protein-protein
- C–K · 2129 Ų buried · 9 hydrogen bonds · protein-protein
- A–F · 2092 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide, 4 modified (disulfide, nucleotide modification).
Compared structures
- 2B63 · Complete RNA Polymerase II-RNA inhibitor complex · the same entry in another collection · chain L against L, 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 2B63 · PDBe 2B63 · UniProt P04050 · UniProt P08518 · UniProt P16370 · UniProt P20433 · UniProt P20434 · UniProt P20435 · UniProt P34087 · UniProt P20436 · UniProt P27999 · UniProt P22139 · UniProt P38902 · UniProt P40422
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.