MolNFT v1 · #12000 · protein
NMR solution structure of oxidized cytochrome C-553 from bacillus pasteurii
1K3H: “NMR solution structure of oxidized cytochrome C-553 from bacillus pasteurii”. Solution nmr, 1 ligand (HEC), 1 pocket (best druggability 0.56). MolNFT v1 #12000 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1K3H
- Type
- protein
- Length
- 71 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome C-553
- UniProt
- P82599
- Ligands
- HEC
- Pockets
- 1 · best druggability 0.56
Structure
solution nmr · 1 distinct chain · 51% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome C-553 | protein | 71 | 51% helix, 3% strand | P82599 |
Ligands and binding sites
- HEC · Heme C · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 135 | 0.56 | 0.82 | 25 | HEC |
Modifications
Observed in the structure: 2 cofactor (heme c attachment).
Compared structures
- 1K3H · NMR Solution Structure of Oxidized Cytochrome c-553 from Bacillus pasteurii · the same entry in another collection · chain A against A, TM-score 1.00
- P82599 · AlphaFold monomer V2.0 prediction for cytochrome C-553 (P82599) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P82599
- Elsewhere: RCSB PDB 1K3H · PDBe 1K3H · UniProt P82599
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