MolNFT v1 · #174348 · protein
Crystal structure of human ME2 R67A mutant
7BSL · NAD-dependent malic enzyme, mitochondrial: “Crystal structure of human ME2 R67A mutant”. X-ray diffraction, 1 ligand (NAD), 17 pockets (best druggability 0.87). MolNFT v1 #174348 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 7BSL
- Type
- protein
- Length
- 1,094 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NAD-dependent malic enzyme, mitochondrial
- EC
- 1.1.1.38
- UniProt
- P23368
- Ligands
- NAD
- Pockets
- 17 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NAD-dependent malic enzyme, mitochondrial (EC 1.1.1.38) | protein | 543 | 48% helix, 10% strand | P23368 |
| B | NAD-dependent malic enzyme, mitochondrial (EC 1.1.1.38) | protein | 551 | 48% helix, 10% strand | P23368 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1078 | 0.87 | 0.88 | 89 | empty |
| 2 | 86 | 0.76 | 0.97 | 17 | empty |
| 3 | 86 | 0.75 | 0.97 | 18 | empty |
| 4 | 514 | 0.71 | 0.80 | 58 | NAD |
| 5 | 609 | 0.70 | 0.79 | 75 | NAD |
Interfaces
1 interface between chains.
- A–B · 2050 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
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 P23368
- Elsewhere: RCSB PDB 7BSL · PDBe 7BSL · UniProt P23368
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