5MRD: Human PDK1-PKCiota Kinase Chimera in Complex with Allosteric Compound PS267 Bound to the PIF-Pocket

PDB ID: 5MRDDownload
MMDB ID: 146602
PDB Deposition Date: 2016/12/22
Updated in MMDB: 2018/11
Experimental Method:
x-ray diffraction
Resolution: 1.41  Å
Source Organism:
Similar Structures:
Biological Unit for 5MRD: monomeric; determined by author and by software (PISA)
Molecular Components in 5MRD
Label Count Molecule
Protein (1 molecule)
1
3-phosphoinositide-dependent Protein Kinase 1
(Gene symbol: PDPK1)
Molecule annotation
Chemicals and Non-standard biopolymers (5 molecules)
1
1
ethyl (2~{S})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{H}-pyrrole-3-carboxylateethyl (2~{S})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{H}-pyrrole-3-carboxylate
2
1
2,3-DIHYDROXY-1,4-DITHIOBUTANE2,3-DIHYDROXY-1,4-DITHIOBUTANE
3
2
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
4
1
ADENOSINE-5'-TRIPHOSPHATEADENOSINE-5'-TRIPHOSPHATE
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303