MolNFT v1 · #7636 · protein
Refined crystal structure of "aged" and "non-aged" organophosphoryl conjugates of gamma-chymotrypsin
1GCD: “Refined crystal structure of "aged" and "non-aged" organophosphoryl conjugates of gamma-chymotrypsin”. X-ray diffraction, 2 ligands (DEP, SO4), 1 pocket (best druggability 0.41). MolNFT v1 #7636 on GenesisL1: 3D structure, binding…
- PDB
- 1GCD
- Type
- protein
- Length
- 237 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gamma-chymotrypsin
- EC
- 3.4.21.1
- UniProt
- P00766
- Ligands
- DEP, SO4
- Pockets
- 1 · best druggability 0.41
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gamma-chymotrypsin (EC 3.4.21.1) | protein | 237 | 12% helix, 36% strand | P00766 |
Ligands and binding sites
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 | 61 | 0.41 | 0.82 | 18 | DEP |
Modifications
Observed in the structure: 5 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
- 1GCD · Refined crystal structure of "aged" and "non-aged" organophosphoryl conjugates of… · the same entry in another collection · chain A against A, TM-score 1.00
- P00766 · AlphaFold monomer V2.0 prediction for chymotrypsinogen a (P00766) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P00766
- Elsewhere: RCSB PDB 1GCD · PDBe 1GCD · UniProt P00766
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