Research workbench
Crystal structure of human nicotinamide mononucleotide adenylyltransferase in complex with nmn
Analyse Crystal structure of human nicotinamide mononucleotide adenylyltransferase in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1GZU
- Type
- protein
- Length
- 681 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinamide mononucleotide adenylyl transferase
- EC
- 2.7.7.1
- UniProt
- Q9HAN9
- Ligands
- NMN
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Nicotinamide mononucleotide adenylyl transferase (EC 2.7.7.1) | protein | 227 | 43% helix, 17% strand | Q9HAN9 |
Ligands and binding sites
- NMN · Beta-nicotinamide ribose monophosphate · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 570 | 0.73 | 0.81 | 51 | NMN |
| 2 | 536 | 0.73 | 0.81 | 49 | NMN |
| 3 | 560 | 0.72 | 0.80 | 48 | NMN |
Interfaces
3 interfaces between chains.
- B–C · 310 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 302 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 272 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 1GZU · Crystal Structure of Human Nicotinamide Mononucleotide Adenylyltransferase in Complex… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HAN9 · AlphaFold monomer V2.0 prediction for NICOTINAMIDE/NICOTINIC acid mononucleotide… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9HAN9
- Elsewhere: RCSB PDB 1GZU · PDBe 1GZU · UniProt Q9HAN9
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