MolNFT v1 · #132606 · protein
Crystal structure of deuterated gamma-chymotrypsin at pH 7.5, cryo temperature
5R43 · Chymotrypsinogen a: “Crystal structure of deuterated gamma-chymotrypsin at pH 7.5, cryo temperature”. X-ray diffraction, 1 ligand (IOD). MolNFT v1 #132606 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5R43
- Type
- protein
- Length
- 247 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chymotrypsinogen a; Peptide swpw; Peptide tpgvy
- EC
- 3.4.21.1
- UniProt
- P00766
- Ligands
- IOD
Structure
x-ray diffraction · 5 distinct chains · 11% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chymotrypsinogen a (EC 3.4.21.1) | protein | 10 | 0% helix, 0% strand | P00766 |
| B | Chymotrypsinogen a (EC 3.4.21.1) | protein | 131 | 2% helix, 40% strand | P00766 |
| C | Chymotrypsinogen a (EC 3.4.21.1) | protein | 97 | 25% helix, 40% strand | P00766 |
| D | Peptide swpw | protein | 4 | 0% helix, 50% strand | — |
| E | Peptide tpgvy | protein | 5 | 0% helix, 60% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
8 interfaces between chains.
- B–C · 3047 Ų buried · 45 hydrogen bonds · protein-protein
- A–B · 492 Ų buried · 1 hydrogen bond · protein-protein
- C–E · 398 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 380 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 300 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 5R43 · Crystal Structure of deuterated gamma-Chymotrypsin at pH 7.5, cryo temperature · the same entry in another collection · chain E against E, TM-score 1.00
- P00766 · AlphaFold monomer V2.0 prediction for chymotrypsinogen a (P00766) · a predicted model of the same protein · chain C 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 P00766
- Elsewhere: RCSB PDB 5R43 · PDBe 5R43 · UniProt P00766
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