MolNFT v1 · #46922 · protein
NMR structure analysis of the hematopoetic cell kinase SH3 domain complexed with an artificial high affinity ligand (PD1)
2OJ2 · Hematopoetic cell kinase, SH3 domain: “NMR structure analysis of the hematopoetic cell kinase SH3 domain complexed with an artificial high affinity…”. Solution nmr, 2 ligands (ACE, NH2). MolNFT v1 #46922 on GenesisL1: 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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