MolNFT v1 · #123434 · protein
Crystal structure of CMIS6
5JJP · Nonribosomal peptide synthase: “Crystal structure of CMIS6”. X-ray diffraction, 20 pockets (best druggability 0.76). MolNFT v1 #123434 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5JJP
- Type
- protein
- Length
- 1,640 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nonribosomal peptide synthase
- UniProt
- X5IJ97
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 29% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nonribosomal peptide synthase | protein | 414 | 30% helix, 27% strand | X5IJ97 |
| B | Nonribosomal peptide synthase | protein | 418 | 30% helix, 26% strand | X5IJ97 |
| C | Nonribosomal peptide synthase | protein | 392 | 28% helix, 28% strand | X5IJ97 |
| D | Nonribosomal peptide synthase | protein | 416 | 30% helix, 26% strand | X5IJ97 |
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 581 | 0.76 | 0.83 | 53 | empty |
| 2 | 551 | 0.75 | 0.83 | 51 | empty |
| 3 | 850 | 0.74 | 0.79 | 88 | empty |
| 4 | 499 | 0.69 | 0.79 | 67 | empty |
| 5 | 517 | 0.69 | 0.79 | 74 | empty |
Interfaces
6 interfaces between chains.
- A–D · 2515 Ų buried · 51 hydrogen bonds · protein-protein
- B–C · 2491 Ų buried · 51 hydrogen bonds · protein-protein
- B–D · 294 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 292 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 153 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5JJP · Crystal structure of CmiS6 · 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 X5IJ97
- Elsewhere: RCSB PDB 5JJP · PDBe 5JJP · UniProt X5IJ97
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