MolNFT v1 · #12459 · protein
Pepck complex with pep
1KHF · Phosphoenolpyruvate carboxykinase, cytosolic (GTP): “Pepck complex with pep”. X-ray diffraction, 3 ligands (PEP, MN, NA), 7 pockets (best druggability 0.72). MolNFT v1 #12459 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1KHF
- Type
- protein
- Length
- 603 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoenolpyruvate carboxykinase, cytosolic (GTP)
- EC
- 4.1.1.32
- UniProt
- P35558
- Ligands
- PEP, MN, NA
- Pockets
- 7 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoenolpyruvate carboxykinase, cytosolic (GTP) (EC 4.1.1.32) | protein | 603 | 32% helix, 24% strand | P35558 |
Ligands and binding sites
- PEP · Phosphoenolpyruvate · ligand · chains A
- MN · Manganese (II) ion · metal · chains A
- NA · Sodium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 524 | 0.72 | 0.81 | 59 | MN, NA, PEP |
| 2 | 118 | 0.50 | 0.80 | 23 | empty |
| 3 | 125 | 0.44 | 0.77 | 26 | empty |
| 4 | 74 | 0.44 | 0.81 | 16 | empty |
| 5 | 71 | 0.34 | 0.75 | 18 | empty |
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 P35558
- Elsewhere: RCSB PDB 1KHF · PDBe 1KHF · UniProt P35558
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