Research workbench
NMR structure analysis of the hematopoetic cell kinase SH3 domain complexed with an artificial high affinity ligand (PD1)
Analyse NMR structure analysis of the hematopoetic cell kinase SH3 domain complexed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2OJ2
- Type
- protein
- Length
- 98 residues
- Chains
- 2
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hematopoetic cell kinase, SH3 domain; Artificial peptide PD1
- EC
- 2.7.1.112
- UniProt
- P08631
- Ligands
- ACE, NH2
Structure
solution nmr · 2 distinct chains · 3% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hematopoetic cell kinase, SH3 domain (EC 2.7.1.112) | protein | 86 | 3% helix, 30% strand | P08631 |
| B | Artificial peptide PD1 | protein | 12 | 0% helix, 0% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
1 interface between chains.
- A–B · 680 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 2OJ2 · NMR Structure Analysis of the Hematopoetic Cell Kinase SH3 Domain complexed with an… · the same entry in another collection · chain A against A, TM-score 1.00
- P08631 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase hck (P08631) · a predicted model of the same protein · chain A against A, TM-score 0.68
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 P08631
- Elsewhere: RCSB PDB 2OJ2 · PDBe 2OJ2 · UniProt P08631
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