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PDBsum entry 4af3
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protein ligands Protein-protein interface(s) links
Transferase/inhibitor PDB id
4af3

 

 

 

 

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JSmol PyMol  
Contents
Protein chains
253 a.a.
43 a.a.
Ligands
VX6
Waters ×31
PDB id:
4af3
Name: Transferase/inhibitor
Title: Human aurora b kinase in complex with incenp and vx-680
Structure: Aurora kinase b. Chain: a. Fragment: residues 55-344. Synonym: aurora 1, aurora b, aurora- and ipl1-like midbody-associated protein 1, aim-1, aurora/ipl1-related kinase 2, ark-2, aurora-related kinase 2, stk-1, serine/threonine 12 -protein kinase serine/threonine-protein kinase 5, serine/threonine-protein kinase aurora-b. Engineered: yes.
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 469008. Other_details: mammalian gene collection image 2819846.
Resolution:
2.75Å     R-factor:   0.208     R-free:   0.264
Authors: J.M.Elkins,M.Vollmar,J.Wang,S.Picaud,C.H.Arrowsmith,A.Edwards, C.Bountra,F.Von Delft,S.Knapp
Key ref: J.M.Elkins et al. (2012). Crystal structure of human aurora B in complex with INCENP and VX-680. J Med Chem, 55, 7841-7848. PubMed id: 22920039
Date:
16-Jan-12     Release date:   11-Apr-12    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
Q96GD4  (AURKB_HUMAN) -  Aurora kinase B from Homo sapiens
Seq:
Struc: 		344 a.a.
253 a.a.*
Protein chain
Pfam   ArchSchema ?
Q9NQS7  (INCE_HUMAN) -  Inner centromere protein from Homo sapiens
Seq:
Struc: 		 
Seq:
Struc: 		918 a.a.
43 a.a.
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 1 residue position (black cross)

 Enzyme reactions 
   Enzyme class 1: Chain A: E.C.2.7.11.1  - non-specific serine/threonine protein kinase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction:
1. L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H+
2. L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H+
L-seryl-[protein]
 + ATP
 = O-phospho-L-seryl-[protein]
 + ADP
 + H(+)
L-threonyl-[protein]
 + ATP
 = O-phospho-L-threonyl-[protein]
 + ADP
 + H(+)
   Enzyme class 2: Chain D: E.C.?
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
Note, where more than one E.C. class is given (as above), each may correspond to a different protein domain or, in the case of polyprotein precursors, to a different mature protein.
Molecule diagrams generated from .mol files obtained from the KEGG ftp site

 

 
    reference    
 
 
J Med Chem 55:7841-7848 (2012)
PubMed id: 22920039  
 
 
Crystal structure of human aurora B in complex with INCENP and VX-680.
J.M.Elkins, S.Santaguida, A.Musacchio, S.Knapp.
 
  ABSTRACT  
 
No abstract given.

 

 

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