MolNFT v1 · #83861 · protein + DNA
Time-resolved crystal structure of hindiii with 25SEC soaking
3WVH · Type-2 restriction enzyme hindiii: “Time-resolved crystal structure of hindiii with 25SEC soaking”. X-ray diffraction, 1 ligand (MN), 20 pockets (best druggability 0.79). MolNFT v1 #83861 on GenesisL1: 3D structure, binding sites…
- PDB
- 3WVH
- Type
- protein + DNA
- Length
- 1,288 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type-2 restriction enzyme hindiii; DNA (5'-D(*GP*CP*CP*AP*AP*GP*CP*TP*TP*GP*GP*C)-3')
- EC
- 3.1.21.4
- UniProt
- P43870
- Ligands
- MN
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, A, D, C | Type-2 restriction enzyme hindiii (EC 3.1.21.4) | protein | 298 | 60% helix, 11% strand | P43870 |
| F, E, H, G, I, J, L, K | DNA (5'-D(*GP*CP*CP*AP*AP*GP*CP*TP*TP*GP*GP*C)-3') | dna | 12 | — | — |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 8 copies · chains B, F, A, E, D, H, C, G
- GOL · Glycerol · additive · 4 copies · chains B, A, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 877 | 0.79 | 0.82 | 63 | empty |
| 2 | 889 | 0.78 | 0.81 | 62 | empty |
| 3 | 194 | 0.71 | 0.88 | 31 | empty |
| 4 | 195 | 0.69 | 0.87 | 37 | empty |
| 5 | 209 | 0.67 | 0.85 | 31 | empty |
Interfaces
28 interfaces between chains.
- D–C · 3486 Ų buried · 28 hydrogen bonds · protein-protein
- B–A · 3456 Ų buried · 29 hydrogen bonds · protein-protein
- C–H · 834 Ų buried · 25 hydrogen bonds · protein-nucleic
- A–F · 830 Ų buried · 25 hydrogen bonds · protein-nucleic
- D–G · 822 Ų buried · 22 hydrogen bonds · protein-nucleic
Compared structures
- 3WVH · Time-Resolved Crystal Structure of HindIII with 25sec soaking · the same entry in another collection · chain K against K, 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 P43870
- Elsewhere: RCSB PDB 3WVH · PDBe 3WVH · UniProt P43870
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