MolNFT v1 · #15680 · protein
Crystal structure of thermotoga maritima 1070
1NC7 · Hypothetical protein TM1070: “Crystal structure of thermotoga maritima 1070”. X-ray diffraction, 2 ligands (MG, CL), 6 pockets (best druggability 0.55). MolNFT v1 #15680 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1NC7
- Type
- protein
- Length
- 465 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein TM1070
- UniProt
- Q9X0F9
- Ligands
- MG, CL
- Pockets
- 6 · best druggability 0.55
Structure
x-ray diffraction · 3 distinct chains · 3% helix, 64% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein TM1070 | protein | 116 | 3% helix, 65% strand | Q9X0F9 |
| B, C | Hypothetical protein TM1070 | protein | 116 | 3% helix, 65% strand | Q9X0F9 |
| D | Hypothetical protein TM1070 | protein | 117 | 3% helix, 64% strand | Q9X0F9 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
- CL · Chloride ion · ion · 2 copies · chains A, B, C, D
- FMT · Formic acid · additive · 4 copies · chains A, C, D
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 196 | 0.55 | 0.79 | 28 | EDO |
| 2 | 189 | 0.55 | 0.79 | 29 | empty |
| 3 | 178 | 0.53 | 0.79 | 24 | empty |
| 4 | 145 | 0.50 | 0.79 | 24 | EDO |
| 5 | 138 | 0.50 | 0.80 | 23 | MG, FMT |
Interfaces
6 interfaces between chains.
- A–D · 1297 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 1255 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1251 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 1235 Ų buried · 18 hydrogen bonds · protein-protein
- B–D · 62 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 1NC7 · Crystal Structure of Thermotoga maritima 1070 · 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 Q9X0F9
- Elsewhere: RCSB PDB 1NC7 · PDBe 1NC7 · UniProt Q9X0F9
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