MolNFT v1 · #15674 · protein
Crystal structure of E. COLI MTA/ADOHCY nucleosidase complexed with 5'-methylthiotubercidin (mth)
1NC1 · MTA/SAH nucleosidase: “Crystal structure of E. COLI MTA/ADOHCY nucleosidase complexed with 5'-methylthiotubercidin (mth)”. X-ray diffraction, 1 ligand (MTH), 5 pockets (best druggability 0.71). MolNFT v1 #15674 on GenesisL1: 3D…
- PDB
- 1NC1
- Type
- protein
- Length
- 466 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MTA/SAH nucleosidase
- EC
- 3.2.2.9, 3.2.2.16
- UniProt
- P24247
- Ligands
- MTH
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MTA/SAH nucleosidase (EC 3.2.2.9, 3.2.2.16) | protein | 234 | 39% helix, 32% strand | P24247 |
| B | MTA/SAH nucleosidase (EC 3.2.2.9, 3.2.2.16) | protein | 232 | 39% helix, 31% strand | P24247 |
Ligands and binding sites
- MTH · 2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methylsulfanylmethyl-tetrahydro-furan-3,4-diol · ligand · 2 copies · chains A, B
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 | 112 | 0.71 | 0.92 | 25 | MTH |
| 2 | 121 | 0.69 | 0.90 | 23 | MTH |
| 3 | 332 | 0.66 | 0.81 | 40 | empty |
| 4 | 58 | 0.31 | 0.76 | 18 | empty |
| 5 | 55 | 0.29 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1446 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 1NC1 · Crystal structure of E. coli MTA/AdoHcy nucleosidase complexed with… · 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 P24247
- Elsewhere: RCSB PDB 1NC1 · PDBe 1NC1 · UniProt P24247
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