MolNFT v1 · #83469 · protein
The crystal structure of human cytosolic NADP(+)-dependent malic enzyme in apo form
3WJA · NADP-dependent malic enzyme: “The crystal structure of human cytosolic NADP(+)-dependent malic enzyme in apo form”. X-ray diffraction, 13 pockets (best druggability 0.81). MolNFT v1 #83469 on GenesisL1: 3D structure, binding sites…
- PDB
- 3WJA
- Type
- protein
- Length
- 1,125 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NADP-dependent malic enzyme
- EC
- 1.1.1.40
- UniProt
- P48163
- Pockets
- 13 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NADP-dependent malic enzyme (EC 1.1.1.40) | protein | 562 | 49% helix, 10% strand | P48163 |
| B | NADP-dependent malic enzyme (EC 1.1.1.40) | protein | 563 | 48% helix, 10% strand | P48163 |
Pockets
13 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 425 | 0.81 | 0.89 | 81 | empty |
| 2 | 83 | 0.75 | 0.97 | 15 | empty |
| 3 | 75 | 0.75 | 0.98 | 16 | empty |
| 4 | 566 | 0.74 | 0.81 | 79 | empty |
| 5 | 488 | 0.73 | 0.82 | 66 | empty |
Interfaces
1 interface between chains.
- A–B · 2272 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 3WJA · The crystal structure of human cytosolic NADP(+)-dependent malic enzyme in apo form · the same entry in another collection · chain A against A, TM-score 1.00
- P48163 · AlphaFold monomer V2.0 prediction for NADP-dependent malic enzyme (P48163) · 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 P48163
- Elsewhere: RCSB PDB 3WJA · PDBe 3WJA · UniProt P48163
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