MolNFT v1 · #101702 · protein
Crystal structure of the N-terminal domain of moloney murine leukemia virus integrase, northeast structural genomics consortium target OR3
4NZG · Integrase P46: “Crystal structure of the N-terminal domain of moloney murine leukemia virus integrase, northeast structural…”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.81). MolNFT v1 #101702 on GenesisL1: 3D…
- PDB
- 4NZG
- Type
- protein
- Length
- 372 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integrase P46
- UniProt
- P03355
- Ligands
- ZN
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Integrase P46 | protein | 93 | 55% helix, 14% strand | P03355 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · 9 copies · chains A, C, B, D
- ACT · Acetate ion · additive · 3 copies · chains A, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 930 | 0.81 | 0.83 | 51 | DTT, ACT |
| 2 | 851 | 0.81 | 0.83 | 49 | DTT |
| 3 | 312 | 0.64 | 0.80 | 57 | empty |
| 4 | 90 | 0.34 | 0.74 | 22 | empty |
| 5 | 70 | 0.30 | 0.74 | 20 | empty |
Interfaces
6 interfaces between chains.
- B–C · 431 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 415 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 382 Ų buried · 5 hydrogen bonds · protein-protein
- C–D · 380 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 347 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4NZG · Crystal Structure of the N-terminal domain of Moloney murine leukemia virus integrase… · the same entry in another collection · chain A against A, 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 P03355
- Elsewhere: RCSB PDB 4NZG · PDBe 4NZG · UniProt P03355
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.