MolNFT v1 · #27630 · protein
Crystal structure of mcsg target APC26283 from vibrio cholerae
1XPJ · Hypothetical protein: “Crystal structure of mcsg target APC26283 from vibrio cholerae”. X-ray diffraction, 1 ligand (HG), 5 pockets (best druggability 0.83). MolNFT v1 #27630 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 1XPJ
- Type
- protein
- Length
- 493 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein
- UniProt
- Q9KVB4
- Ligands
- HG
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical protein | protein | 124 | 40% helix, 17% strand | Q9KVB4 |
| B, C, D | Hypothetical protein | protein | 123 | 38% helix, 17% strand | Q9KVB4 |
Ligands and binding sites
- HG · Mercury (II) ion · metal · 4 copies · chains A, D, B, C
- TLA · L(+)-tartaric acid · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 829 | 0.83 | 0.86 | 96 | empty |
| 2 | 262 | 0.61 | 0.80 | 33 | HG, TLA |
| 3 | 282 | 0.58 | 0.78 | 35 | HG, TLA |
| 4 | 267 | 0.58 | 0.78 | 35 | HG, TLA |
| 5 | 249 | 0.58 | 0.79 | 32 | HG, TLA |
Interfaces
4 interfaces between chains.
- A–D · 1969 Ų buried · 44 hydrogen bonds · protein-protein
- B–C · 1945 Ų buried · 43 hydrogen bonds · protein-protein
- C–D · 535 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 531 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 1XPJ · Crystal Structure of MCSG Target APC26283 from Vibrio cholerae · 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 Q9KVB4
- Elsewhere: RCSB PDB 1XPJ · PDBe 1XPJ · UniProt Q9KVB4
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