MolNFT v1 · #31073 · protein
Crystal structure of native protein C activator from the venom of copperhead snake agkistrodon contortrix contortrix
2AIP: “Crystal structure of native protein C activator from the venom of copperhead snake agkistrodon contortrix…”. X-ray diffraction, 2 ligands (NAG, SO4), 1 pocket (best druggability 0.39). MolNFT v1 #31073 on GenesisL1: 3D structure…
- PDB
- 2AIP
- Type
- protein
- Length
- 231 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein C activator
- EC
- 3.4.21.74
- UniProt
- P09872
- Ligands
- NAG, SO4
- Pockets
- 1 · best druggability 0.39
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein C activator (EC 3.4.21.74) | protein | 231 | 10% helix, 35% strand | P09872 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- ACT · Acetate ion · additive · chains A
- GOL · Glycerol · additive · chains A
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 | 57 | 0.39 | 0.81 | 19 | SO4 |
Modifications
Observed in the structure: 6 disulfide, 3 glycan (disulfide, N-glycosylation).
Compared structures
- 2AIP · Crystal structure of native protein C activator from the venom of copperhead snake… · the same entry in another collection · chain A against A, TM-score 1.00
- P09872 · AlphaFold monomer V2.0 prediction for protein C activator (P09872) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P09872
- Elsewhere: RCSB PDB 2AIP · PDBe 2AIP · UniProt P09872
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