MolNFT v1 · #129889 · protein
Crystal structure of human lung surfactant protein D trimeric fragment with bound ligand salmonella enterica minnesota R7 oligosaccharide
5OXR · Pulmonary surfactant-associated protein D: “Crystal structure of human lung surfactant protein D trimeric fragment with bound ligand salmonella enterica…”. X-ray diffraction, 3 ligands (K5B, GMH, CA), 4 pockets (best druggability…
- PDB
- 5OXR
- Type
- protein
- Length
- 454 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pulmonary surfactant-associated protein D
- UniProt
- P35247
- Ligands
- K5B, GMH, CA
- Pockets
- 4 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Pulmonary surfactant-associated protein D | protein | 151 | 35% helix, 24% strand | P35247 |
| B | Pulmonary surfactant-associated protein D | protein | 152 | 37% helix, 25% strand | P35247 |
Ligands and binding sites
- K5B · 4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid · ligand · 2 copies · chains B, C
- GMH · L-glycero-alpha-D-manno-heptopyranose · sugar · 4 copies · chains B, C
- CA · Calcium ion · metal · 9 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 200 | 0.57 | 0.80 | 32 | empty |
| 2 | 117 | 0.47 | 0.79 | 22 | empty |
| 3 | 132 | 0.47 | 0.78 | 23 | empty |
| 4 | 127 | 0.45 | 0.77 | 21 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1111 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 1089 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 1049 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 5OXR · Crystal structure of human lung surfactant protein D trimeric fragment with bound ligand… · 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 P35247
- Elsewhere: RCSB PDB 5OXR · PDBe 5OXR · UniProt P35247
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