MolNFT v1 · #9910 · protein + DNA
Crystal structure of naei complexed with 17MER DNA
1IAW · 5'-D(*TP*GP*CP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*TP*GP*GP*C)- 3': “Crystal structure of naei complexed with 17MER DNA”. X-ray diffraction, 14 pockets (best druggability 0.79). MolNFT v1 #9910 on GenesisL1: 3D structure, binding sites…
- PDB
- 1IAW
- Type
- protein + DNA
- Length
- 675 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*TP*GP*CP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*TP*GP*GP*C)- 3'; Type II restriction enzyme…
- EC
- 3.1.21.4
- UniProt
- P50187
- Pockets
- 14 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 39% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | 5'-D(*TP*GP*CP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*TP*GP*GP*C)- 3' | dna | 16 | — | — |
| D, E, F | 5'-D(*TP*GP*CP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*TP*GP*GP*C)- 3' | dna | 17 | — | — |
| A, B | Type II restriction enzyme naei (EC 3.1.21.4) | protein | 304 | 39% helix, 18% strand | P50187 |
Pockets
14 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 976 | 0.79 | 0.81 | 102 | empty |
| 2 | 127 | 0.52 | 0.81 | 26 | empty |
| 3 | 162 | 0.50 | 0.79 | 20 | empty |
| 4 | 153 | 0.49 | 0.79 | 25 | empty |
| 5 | 122 | 0.49 | 0.80 | 24 | empty |
Interfaces
11 interfaces between chains.
- A–B · 1050 Ų buried · 17 hydrogen bonds · protein-protein
- E–F · 840 Ų buried · 80 hydrogen bonds · nucleic-nucleic
- F–A · 813 Ų buried · 20 hydrogen bonds · protein-nucleic
- E–B · 796 Ų buried · 25 hydrogen bonds · protein-nucleic
- C–D · 767 Ų buried · 68 hydrogen bonds · nucleic-nucleic
Compared structures
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 P50187
- Elsewhere: RCSB PDB 1IAW · PDBe 1IAW · UniProt P50187
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