Brand  (β version)

PDB ID: 3VBQ

Hetero Atom Contents

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

Ligands
Code Name Link
0F5 (5~{z})-5-[[3-[6-[(4-azanylcyclohexyl)amino]pyrazin-2-yl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione PoSSuM

Structure summary

Code : 3VBQ   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Exploitation of hydrogen bonding constraints and flat hydrophobic energy landscapes in Pim-1 kinase needle screening and inhibitor design
Release Data : 2012-03-21
Compound :
mol_id molecule chains
1 Serine/threonine-protein kinase pim-1 A
ec: 2.7.11.1
fragment: unp residues 120-404
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: PIM1
Authors : Liu, J.
Keywords : Pim1, Rossmann Fold, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.85 Å )
Citation :

Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design.

Good, A.C.,Liu, J.,Hirth, B.  et al.
(2012)  J.Med.Chem.  55 : 2641 - 2648

PubMed: 22339127
DOI: 10.1021/jm2014698

Reaction

Chain : A
UniProt : P11309 (PIM1_HUMAN)
Reaction : Reaction=ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein]; Xref=Rhea:RHEA:17989, Rhea:RHEA-COMP:9863, Rhea:RHEA- COMP:11604, ChEBI:CHEBI:15378, ChEBI:CHEBI:29999, ChEBI:CHEBI:30616, ChEBI:CHEBI:83421, ChEBI:CHEBI:456216; EC=2.7.11.1; Evidence={ECO:0000269|PubMed:15525646, ECO:0000269|PubMed:15657054, ECO:0000269|PubMed:15808862};
Reaction=ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein]; Xref=Rhea:RHEA:46608, Rhea:RHEA-COMP:11060, Rhea:RHEA-COMP:11605, ChEBI:CHEBI:15378, ChEBI:CHEBI:30013, ChEBI:CHEBI:30616, ChEBI:CHEBI:61977, ChEBI:CHEBI:456216; EC=2.7.11.1; Evidence={ECO:0000269|PubMed:15525646, ECO:0000269|PubMed:15657054, ECO:0000269|PubMed:15808862};