MolNFT v1 · #163038 · protein
Structure of % reduced kpdyp
6RQY · Iron-dependent peroxidase: “Structure of % reduced kpdyp”. X-ray diffraction, 2 ligands (HEM, MG), 7 pockets (best druggability 0.82). MolNFT v1 #163038 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6RQY
- Type
- protein
- Length
- 599 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iron-dependent peroxidase
- EC
- 1.11.1.-
- UniProt
- A0A0W8ATM9
- Ligands
- HEM, MG
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Iron-dependent peroxidase (EC 1.11.1.-) | protein | 301 | 33% helix, 26% strand | A0A0W8ATM9 |
| B | Iron-dependent peroxidase (EC 1.11.1.-) | protein | 298 | 35% helix, 26% strand | A0A0W8ATM9 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 333 | 0.82 | 0.92 | 40 | HEM |
| 2 | 343 | 0.78 | 0.88 | 39 | HEM |
| 3 | 439 | 0.70 | 0.81 | 42 | GOL |
| 4 | 73 | 0.53 | 0.87 | 15 | GOL |
| 5 | 70 | 0.45 | 0.83 | 17 | GOL |
Interfaces
1 interface between chains.
- A–B · 1003 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 6RQY · Structure of % reduced KpDyP · 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 A0A0W8ATM9
- Elsewhere: RCSB PDB 6RQY · PDBe 6RQY · UniProt A0A0W8ATM9
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