MolNFT v1 · #14083 · protein
X-ray structure of MTH1187 northeast structural genomics consortium target TT272
1LXN · Hypothetical protein MTH1187: “X-ray structure of MTH1187 northeast structural genomics consortium target TT272”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.80). MolNFT v1 #14083 on GenesisL1: 3D structure…
- PDB
- 1LXN
- Type
- protein
- Length
- 396 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein MTH1187
- UniProt
- O27255
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Hypothetical protein MTH1187 | protein | 99 | 39% helix, 31% strand | O27255 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 6 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 169 | 0.80 | 0.96 | 34 | SO4 |
| 2 | 164 | 0.80 | 0.96 | 36 | SO4 |
| 3 | 174 | 0.80 | 0.95 | 35 | SO4 |
| 4 | 170 | 0.79 | 0.95 | 34 | SO4 |
Interfaces
6 interfaces between chains.
- C–D · 1379 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1349 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 1174 Ų buried · 23 hydrogen bonds · protein-protein
- B–D · 1153 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 610 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified, 2 disulfide (engineered, disulfide).
Compared structures
- 1LXN · X-ray structure of MTH1187 northeast structural genomics consortium target TT272 · the same entry in another collection · chain A against A, TM-score 1.00
- O27255 · AlphaFold monomer V2.0 prediction for UPF0045 protein MTH_1187 (O27255) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 O27255
- Elsewhere: RCSB PDB 1LXN · PDBe 1LXN · UniProt O27255
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