MolNFT v1 · #154447 · protein
Crystal structure of cgha with SCH210972
6KBC: “Crystal structure of cgha with SCH210972”. X-ray diffraction, 1 ligand (WK1), 2 pockets (best druggability 0.78). MolNFT v1 #154447 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6KBC
- Type
- protein
- Length
- 378 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cgha
- UniProt
- Q2HBN6
- Ligands
- WK1
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cgha | protein | 378 | 3% helix, 56% strand | Q2HBN6 |
Ligands and binding sites
- WK1 · (2S)-3-[(2S,4E)-4-[[(1R,2S,4aR,6S,8R,8aS)-2-[(E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid · ligand · 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 | 541 | 0.78 | 0.84 | 58 | WK1 |
| 2 | 52 | 0.29 | 0.76 | 14 | empty |
Compared structures
- 6KBC · Crystal structure of CghA with Sch210972 · 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 Q2HBN6
- Elsewhere: RCSB PDB 6KBC · PDBe 6KBC · UniProt Q2HBN6
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