MolNFT v1 · #98048 · protein
Crystallographic study of the complex of NI(II) schiff base complex and hew lysozyme
4KXI · Lysozyme C: “Crystallographic study of the complex of NI(II) schiff base complex and hew lysozyme”. X-ray diffraction, 4 ligands (LCP, SNF, NI), 1 pocket (best druggability 0.34). MolNFT v1 #98048 on GenesisL1: 3D structure, binding…
- PDB
- 4KXI
- Type
- protein
- Length
- 129 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
- LCP, SNF, NI, CL
- Pockets
- 1 · best druggability 0.34
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lysozyme C (EC 3.2.1.17) | protein | 129 | 42% helix, 11% strand | P00698 |
Ligands and binding sites
- LCP · Perchlorate ion · ligand · 5 copies · chains A
- SNF · (N1E, N2E)-N1, N2-bis(pyridine-2-ylmethylene)propane-1,2-diamine, nickel(II) salt · ligand · chains A
- NI · Nickel (II) ion · metal · chains A
- CL · Chloride ion · ion · 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 | 69 | 0.34 | 0.76 | 18 | SNF |
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4KXI · Crystallographic study of the complex of Ni(II) Schiff base complex and HEW Lysozyme · 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 4KXI · PDBe 4KXI · UniProt P00698
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