MolNFT v1 · #75220 · protein
Structure of pseudomonas fluorescence lapd eal domain complexed with C-di-gmp, C2221
3PJT · Cyclic dimeric gmp binding protein: “Structure of pseudomonas fluorescence lapd eal domain complexed with C-di-gmp, C2221”. X-ray diffraction, 1 ligand (C2E), 2 pockets (best druggability 0.66). MolNFT v1 #75220 on GenesisL1: 3D…
- PDB
- 3PJT
- Type
- protein
- Length
- 480 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclic dimeric gmp binding protein
- UniProt
- Q3KK31
- Ligands
- C2E
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cyclic dimeric gmp binding protein | protein | 240 | 50% helix, 23% strand | Q3KK31 |
Ligands and binding sites
- C2E · 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10, 12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3, 2-D:3',2'-J][1,3,7,9,2, 8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) · ligand · 2 copies · chains A, B
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 | 332 | 0.66 | 0.81 | 37 | C2E |
| 2 | 298 | 0.65 | 0.82 | 38 | C2E |
Interfaces
1 interface between chains.
- A–B · 708 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3PJT · Structure of Pseudomonas fluorescence LapD EAL domain complexed with c-di-GMP, C2221 · the same entry in another collection · chain A against A, TM-score 1.00
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 Q3KK31
- Elsewhere: RCSB PDB 3PJT · PDBe 3PJT · UniProt Q3KK31
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