MolNFT v1 · #155624 · protein
Crystal structure of the zn-directed tetramer of the engineered cyt cb 562 variant, C96I AB5
6LDG: “Crystal structure of the zn-directed tetramer of the engineered cyt cb 562 variant, C96I AB5”. X-ray diffraction, 4 ligands (HEC, ZN, MG), 3 pockets (best druggability 0.75). MolNFT v1 #155624 on GenesisL1: 3D structure, binding…
- PDB
- 6LDG
- Type
- protein
- Length
- 212 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Engineered cyt cb 562 variant, C96I ab
- Ligands
- HEC, ZN, MG, CL
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Engineered cyt cb 562 variant, C96I ab | protein | 106 | 80% helix, 0% strand | — |
Ligands and binding sites
- HEC · Heme C · ligand · 2 copies · chains A, C
- ZN · Zinc ion · metal · 7 copies · chains A, C
- MG · Magnesium ion · metal · 2 copies · chains A, C
- CL · Chloride ion · ion · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 319 | 0.75 | 0.87 | 47 | ZN, CL |
| 2 | 132 | 0.59 | 0.84 | 23 | HEC |
| 3 | 138 | 0.59 | 0.83 | 22 | HEC |
Interfaces
1 interface between chains.
- A–C · 743 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 cofactor (heme c attachment).
Compared structures
- 6LDG · Crystal structure of the Zn-directed tetramer of the engineered cyt cb 562 variant, C96I… · 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
- Elsewhere: RCSB PDB 6LDG · PDBe 6LDG
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