MolNFT v1 · #141254 · protein
MAP2K7 C276S mutant-inhibitor
5Z1D · Dual specificity mitogen-activated protein kinase kinase 7: “MAP2K7 C276S mutant-inhibitor”. X-ray diffraction, 1 ligand (95U), 2 pockets (best druggability 0.60). MolNFT v1 #141254 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5Z1D
- Type
- protein
- Length
- 274 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dual specificity mitogen-activated protein kinase kinase 7
- EC
- 2.7.12.2
- UniProt
- O14733
- Ligands
- 95U
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dual specificity mitogen-activated protein kinase kinase 7 (EC 2.7.12.2) | protein | 274 | 45% helix, 19% strand | O14733 |
Ligands and binding sites
- 95U · N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide · ligand · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 292 | 0.60 | 0.78 | 28 | 95U |
| 2 | 59 | 0.30 | 0.75 | 17 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
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 O14733
- Elsewhere: RCSB PDB 5Z1D · PDBe 5Z1D · UniProt O14733
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