MolNFT v1 · #122165 · protein
Structure, thermodynamics, and the role of conformational dynamics in the interactions between the N-terminal SH3 domain of crkii and proline-rich motifs in cabl
5IH2 · Adapter molecule crk: “Structure, thermodynamics, and the role of conformational dynamics in the interactions between the N-terminal…”. X-ray diffraction, 4 ligands (ACE, P4G, NA). MolNFT v1 #122165 on GenesisL1: 3D structure…
- PDB
- 5IH2
- Type
- protein
- Length
- 134 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adapter molecule crk; Proline rich peptide
- UniProt
- Q64010
- Ligands
- ACE, P4G, NA, NH2
Structure
x-ray diffraction · 3 distinct chains · 5% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adapter molecule crk | protein | 58 | 5% helix, 47% strand | Q64010 |
| B | Adapter molecule crk | protein | 56 | 5% helix, 45% strand | Q64010 |
| M, N | Proline rich peptide | protein | 10 | 0% helix, 0% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · 2 copies · chains A, M, N
- P4G · 1-ethoxy-2-(2-ethoxyethoxy)ethane · ligand · 2 copies · chains A, B, N
- NA · Sodium ion · metal · 4 copies · chains A, B
- NH2 · Amino group · ion · 2 copies · chains M, B, N
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
3 interfaces between chains.
- A–M · 522 Ų buried · 7 hydrogen bonds · protein-protein
- B–N · 485 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 371 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 5IH2 · Structure, thermodynamics, and the role of conformational dynamics in the interactions… · the same entry in another collection · chain A against A, TM-score 1.00
- Q64010 · AlphaFold monomer V2.0 prediction for adapter molecule crk (Q64010) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 Q64010
- Elsewhere: RCSB PDB 5IH2 · PDBe 5IH2 · UniProt Q64010
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