MolNFT v1 · #180077 · protein
Crystal structure of antigen 43 from escherichia COLI EDL933
7KOH: “Crystal structure of antigen 43 from escherichia COLI EDL933”. X-ray diffraction, 3 ligands (MG, CL, SO4), 14 pockets (best druggability 0.63). MolNFT v1 #180077 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7KOH
- Type
- protein
- Length
- 2,176 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antigen 43
- UniProt
- Q8X9L4
- Ligands
- MG, CL, SO4
- Pockets
- 14 · best druggability 0.63
Structure
x-ray diffraction · 4 distinct chains · 0% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Antigen 43 | protein | 543 | 0% helix, 56% strand | Q8X9L4 |
| B | Antigen 43 | protein | 544 | 0% helix, 55% strand | Q8X9L4 |
| C | Antigen 43 | protein | 545 | 1% helix, 55% strand | Q8X9L4 |
| D | Antigen 43 | protein | 544 | 0% helix, 55% strand | Q8X9L4 |
Ligands and binding sites
- MG · Magnesium ion · metal · 3 copies · chains A, C, D
- CL · Chloride ion · ion · chains C
- SO4 · Sulfate ion · ion · chains D
- PEG · Di(hydroxyethyl)ether · additive · 27 copies · chains A, B, D, C
- GOL · Glycerol · additive · 17 copies · chains A, B, C, D
- P6G · Hexaethylene glycol · additive · 15 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 410 | 0.63 | 0.78 | 49 | PEG, P6G |
| 2 | 414 | 0.63 | 0.78 | 48 | PEG, P6G |
| 3 | 119 | 0.47 | 0.79 | 28 | empty |
| 4 | 157 | 0.44 | 0.76 | 33 | PEG |
| 5 | 188 | 0.44 | 0.74 | 37 | empty |
Interfaces
5 interfaces between chains.
- A–C · 975 Ų buried · 16 hydrogen bonds · protein-protein
- B–D · 966 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 635 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 498 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 390 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 7KOH · Crystal structure of antigen 43 from Escherichia coli EDL933 · 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 Q8X9L4
- Elsewhere: RCSB PDB 7KOH · PDBe 7KOH · UniProt Q8X9L4
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