MolNFT v1 · #164494 · protein
High resolution crystal structure of human ddah-1 in complex with N- (4-aminobutyl)-N'-(2-METHOXYETHYL)GUANIDINE
6SZP · N(G),N(G)-dimethylarginine dimethylaminohydrolase 1: “High resolution crystal structure of human ddah-1 in complex with N…”. X-ray diffraction, 1 ligand (M3B), 2 pockets (best druggability 0.82). MolNFT v1 #164494 on GenesisL1: 3D…
- PDB
- 6SZP
- Type
- protein
- Length
- 275 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N(G),N(G)-dimethylarginine dimethylaminohydrolase 1
- EC
- 3.5.3.18
- UniProt
- O94760
- Ligands
- M3B
- Pockets
- 2 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (EC 3.5.3.18) | protein | 275 | 32% helix, 26% strand | O94760 |
Ligands and binding sites
- M3B · (1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl) methanetriamine · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 352 | 0.82 | 0.91 | 31 | GOL |
| 2 | 187 | 0.64 | 0.84 | 35 | M3B |
Compared structures
- 6SZP · High resolution crystal structure of human DDAH-1 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- O94760 · AlphaFold monomer V2.0 prediction for N(G),N(G)-dimethylarginine dimethylaminohydrolase 1… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O94760
- Elsewhere: RCSB PDB 6SZP · PDBe 6SZP · UniProt O94760
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