MolNFT v1 · #121261 · protein
Comment on S. W. M. tanley and J. R. helliwell structural dynamics of cisplatin binding to histidine in a protein struct. dyn. 1, 034701 (2014) regarding the refinement of 4MWK, 4MWM, 4MWN and 4OXE and the method we have adopted.
5HQ1 · Lysozyme C: “Comment on S. W. M. tanley and J. R. helliwell structural dynamics of cisplatin binding to histidine in a…”. X-ray diffraction, 3 ligands (PT, NO3, CL), 1 pocket (best druggability 0.30). MolNFT v1 #121261 on GenesisL1…
- PDB
- 5HQ1
- Type
- protein
- Length
- 127 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lysozyme C
- EC
- 3.2.1.17
- UniProt
- P00698
- Ligands
- PT, NO3, CL
- Pockets
- 1 · best druggability 0.30
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysozyme C (EC 3.2.1.17) | protein | 127 | 41% helix, 11% strand | P00698 |
Ligands and binding sites
- PT · Platinum (II) ion · metal · 4 copies · chains A
- NO3 · Nitrate ion · ion · 4 copies · chains A
- CL · Chloride ion · ion · 3 copies · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 65 | 0.30 | 0.74 | 15 | DMS |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 5HQ1 · Comment on S. W. M. Tanley and J. R. Helliwell Structural dynamics of cisplatin binding… · 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 P00698
- Elsewhere: RCSB PDB 5HQ1 · PDBe 5HQ1 · UniProt P00698
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