MolNFT v1 · #51651 · protein
Integrin ALPHAIIBBETA3 headpiece bound to a chimeric fibrinogen gamma chain peptide, hhlggakqrgdv
2VDQ · Integrin alpha-iib: “Integrin ALPHAIIBBETA3 headpiece bound to a chimeric fibrinogen gamma chain peptide, hhlggakqrgdv”. X-ray diffraction, 4 ligands (MAN, NAG, CA), 14 pockets (best druggability 0.77). MolNFT v1 #51651 on…
- PDB
- 2VDQ
- Type
- protein
- Length
- 1,347 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Integrin alpha-iib; Integrin beta-3; Fibrinogen, gamma polypeptide; Monoclonal antibody…
- UniProt
- P08514, P05106, Q53Y18
- Ligands
- MAN, NAG, CA, MG
- Pockets
- 14 · best druggability 0.77
Structure
x-ray diffraction · 5 distinct chains · 12% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Integrin alpha-iib | protein | 452 | 6% helix, 40% strand | P08514 |
| B | Integrin beta-3 | protein | 455 | 24% helix, 28% strand | P05106 |
| C | Fibrinogen, gamma polypeptide | protein | 7 | 0% helix, 14% strand | Q53Y18 |
| H | Monoclonal antibody 10E5 heavy chain | protein | 219 | 7% helix, 53% strand | — |
| L | Monoclonal antibody 10E5 light chain | protein | 214 | 6% helix, 51% strand | — |
Ligands and binding sites
- MAN · alpha-D-mannopyranose · sugar · 8 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 7 copies · chains A, B
- CA · Calcium ion · metal · 6 copies · chains A, B
- MG · Magnesium ion · metal · chains B, C
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 670 | 0.77 | 0.83 | 56 | empty |
| 2 | 687 | 0.75 | 0.81 | 64 | empty |
| 3 | 190 | 0.53 | 0.78 | 29 | GOL |
| 4 | 132 | 0.51 | 0.80 | 33 | empty |
| 5 | 68 | 0.48 | 0.84 | 13 | empty |
Interfaces
6 interfaces between chains.
- H–L · 1999 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1706 Ų buried · 21 hydrogen bonds · protein-protein
- A–H · 634 Ų buried · 10 hydrogen bonds · protein-protein
- A–L · 395 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 324 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide, 5 glycan (disulfide, N-glycosylation).
Compared structures
- 2VDQ · Integrin AlphaIIbBeta3 Headpiece Bound to a Chimeric Fibrinogen Gamma chain peptide… · the same entry in another collection · chain A against A, TM-score 1.00
- P08514 · AlphaFold monomer V2.0 prediction for integrin alpha-iib (P08514) · 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 P08514
- Every structure of UniProt P05106
- Every structure of UniProt Q53Y18
- Elsewhere: RCSB PDB 2VDQ · PDBe 2VDQ · UniProt P08514 · UniProt P05106 · UniProt Q53Y18
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