MolNFT v1 · #169016 · protein
Crystal structure of myeloperoxidase subform C (mpo) complex with compound-37 A.K.A 7-(1-phenyl-3-(((1S,3S)-3-phenyl-2,3-dihydro-1H- inden-1-YL)AMINO)PROPYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-amine
6WY5: “Crystal structure of myeloperoxidase subform C (mpo) complex with compound-37 A.K.A…”. X-ray diffraction, 8 ligands (HEC, UF7, NAG). MolNFT v1 #169016 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6WY5
- Type
- protein
- Length
- 1,137 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P05164
- Ligands
- HEC, UF7, NAG, MAN, BMA, FUC, CA, CL
Structure
x-ray diffraction · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | — | protein | 104 | — | P05164 |
| B | — | protein | 464 | — | P05164 |
| E | — | protein | 465 | — | P05164 |
Ligands and binding sites
- HEC · Heme C · ligand · 2 copies · chains A, B, D, E
- UF7 · 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine · ligand · 2 copies · chains A, B, D, E
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains B, E, D, A
- MAN · alpha-D-mannopyranose · sugar · 4 copies · chains E, D, B, A
- BMA · beta-D-mannopyranose · sugar · 2 copies · chains E, B
- FUC · alpha-L-fucopyranose · sugar · 2 copies · chains B, E
- CA · Calcium ion · metal · 2 copies · chains A, B, D, E
- CL · Chloride ion · ion · 3 copies · chains A, B, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6WY5 · CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-37 A.K.A… · the same entry in another collection · chain A against A, TM-score 1.00
- P05164 · AlphaFold monomer V2.0 prediction for myeloperoxidase (P05164) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P05164
- Elsewhere: RCSB PDB 6WY5 · PDBe 6WY5 · UniProt P05164
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