MolNFT v1 · #180763 · protein
Crystal structure of myeloperoxidase subform C (mpo) complex with compound-14 aka 7-({1-[(3-PHENOXYPHENYL)METHYL]-1H-pyrazol-4- YL}METHYL)-3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-amine
7LAG: “Crystal structure of myeloperoxidase subform C (mpo) complex with compound-14 aka…”. X-ray diffraction, 8 ligands (HEM, XSD, NAG). MolNFT v1 #180763 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7LAG
- Type
- protein
- Length
- 2,269 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P05164
- Ligands
- HEM, XSD, NAG, MAN, BMA, FUC, CA, CL
Structure
x-ray diffraction · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, F, H | — | protein | 103 | — | P05164 |
| B, G, I | — | protein | 464 | — | P05164 |
| E | — | protein | 465 | — | P05164 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, D, E, F, G, H, I
- XSD · 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine · ligand · 4 copies · chains A, B, D, E, F, G, H, I
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 17 copies · chains B, D, E, A, G, I, H, F
- MAN · alpha-D-mannopyranose · sugar · 8 copies · chains E, B, A, I, H, G, F
- BMA · beta-D-mannopyranose · sugar · 4 copies · chains E, B, I, G
- FUC · alpha-L-fucopyranose · sugar · 4 copies · chains B, E, G, I
- CA · Calcium ion · metal · 4 copies · chains A, B, D, E, F, G, H, I
- CL · Chloride ion · ion · 4 copies · chains A, B, F, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7LAG · CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA… · 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 P05164
- Elsewhere: RCSB PDB 7LAG · PDBe 7LAG · UniProt P05164
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