MolNFT v1 · #187796 · protein
Crystal structure of the chromoprotein amilcp
7SWS: “Crystal structure of the chromoprotein amilcp”. X-ray diffraction, 3 ligands (CRQ, CL, BR), 20 pockets (best druggability 0.82). MolNFT v1 #187796 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7SWS
- Type
- protein
- Length
- 1,736 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chromoprotein amilcp
- Ligands
- CRQ, CL, BR
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H | Chromoprotein amilcp | protein | 217 | 6% helix, 57% strand | — |
Ligands and binding sites
- CRQ · [2-(3-carbamoyl-1-imino-propyl)-4-(4-hydroxy-benzylidene)-5-oxo-4,5-dihydro-imidazol-1-yl]-acetic acid · ligand · 8 copies · chains A, B, C, D, E, F, G, H
- CL · Chloride ion · ion · 9 copies · chains A, B, C, D, E, F, G, H
- BR · Bromide ion · ion · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 925 | 0.82 | 0.84 | 126 | empty |
| 2 | 1004 | 0.81 | 0.82 | 124 | empty |
| 3 | 65 | 0.73 | 0.99 | 25 | CRQ |
| 4 | 66 | 0.73 | 0.98 | 26 | CRQ |
| 5 | 66 | 0.73 | 0.98 | 25 | CRQ |
Interfaces
14 interfaces between chains.
- F–H · 1294 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 1293 Ų buried · 13 hydrogen bonds · protein-protein
- C–E · 849 Ų buried · 6 hydrogen bonds · protein-protein
- B–H · 846 Ų buried · 6 hydrogen bonds · protein-protein
- D–F · 835 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 cofactor (chromophore).
Compared structures
- 7SWS · Crystal structure of the chromoprotein amilCP · the same entry in another collection · chain D against D, 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
- Elsewhere: RCSB PDB 7SWS · PDBe 7SWS
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