MolNFT v1 · #145993 · protein
Cell surface receptor in complex with ligand at 1.80-a resolution
6D49 · Myeloid cell surface antigen CD33: “Cell surface receptor in complex with ligand at 1.80-a resolution”. X-ray diffraction, 1 ligand (FVP), 1 pocket (best druggability 0.48). MolNFT v1 #145993 on GenesisL1: 3D structure, binding…
- PDB
- 6D49
- Type
- protein
- Length
- 252 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myeloid cell surface antigen CD33
- UniProt
- P20138
- Ligands
- FVP
- Pockets
- 1 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Myeloid cell surface antigen CD33 | protein | 126 | 7% helix, 40% strand | P20138 |
Ligands and binding sites
- FVP · 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl) acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside · ligand · 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
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 256 | 0.48 | 0.73 | 34 | GOL |
Interfaces
1 interface between chains.
- A–B · 417 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 6D49 · Cell Surface Receptor in Complex with Ligand at 1.80-A Resolution · the same entry in another collection · chain A against A, TM-score 1.00
- P20138 · AlphaFold monomer V2.0 prediction for myeloid cell surface antigen CD33 (P20138) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P20138
- Elsewhere: RCSB PDB 6D49 · PDBe 6D49 · UniProt P20138
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