Research workbench
Crystal structure of ovine cyclooxygenase-1 complex with meloxicam
Analyse Crystal structure of ovine cyclooxygenase-1 complex with meloxicam in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4O1Z
- Type
- protein
- Length
- 1,106 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prostaglandin G/H synthase 1
- EC
- 1.14.99.1
- UniProt
- P05979
- Ligands
- HEM, MXM, NAG
- Pockets
- 9 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Prostaglandin G/H synthase 1 (EC 1.14.99.1) | protein | 553 | 45% helix, 9% strand | P05979 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- MXM · 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1077 | 0.85 | 0.86 | 127 | MXM |
| 2 | 1185 | 0.83 | 0.84 | 124 | MXM |
| 3 | 584 | 0.76 | 0.83 | 66 | empty |
| 4 | 454 | 0.69 | 0.80 | 36 | HEM |
| 5 | 510 | 0.68 | 0.78 | 43 | HEM |
Interfaces
1 interface between chains.
- A–B · 2637 Ų buried · 34 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide, 6 glycan (disulfide, N-glycosylation).
Compared structures
- 4O1Z · Crystal Structure of Ovine Cyclooxygenase-1 Complex with Meloxicam · the same entry in another collection · chain A against A, TM-score 1.00
- P05979 · AlphaFold monomer V2.0 prediction for prostaglandin G/H synthase 1 (P05979) · a predicted model of the same protein · 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 P05979
- Elsewhere: RCSB PDB 4O1Z · PDBe 4O1Z · UniProt P05979
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