PDBsum entry 4mlh

Transferase/transferase activator

PDB id: 4mlh

Contents

Protein chain

448 a.a.

Ligands

GLC

VO2

PDB id:

4mlh

Name:

Transferase/transferase activator

Title:

Human glucokinase in complex with a novel amino thiazole allosteric activator

Structure:

Glucokinase. Chain: a. Fragment: see remark 999. Synonym: hexokinase type iv, hk iv, hexokinase-4, hk4, hexokinase-d. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: gck. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

2.90Å R-factor: 0.222 R-free: 0.282

Authors:

W.C.Voegtli

Key ref:

R.J.Hinklin et al. (2013). Identification of a new class of glucokinase activators through structure-based design. J Med Chem, 56, 7669-7678. PubMed id: 24015910 DOI: 10.1021/jm401116k

Date:

06-Sep-13 Release date: 25-Sep-13

Protein chain

P35557  (HXK4_HUMAN) -  Hexokinase-4 from Homo sapiens

Seq: 465 a.a.

Struc: 448 a.a.*

* PDB and UniProt seqs differ at 2 residue positions (black crosses)

Enzyme reactions

• Enzyme class: E.C.2.7.1.1 - hexokinase.
• Reaction: a D-hexose + ATP = a D-hexose 6-phosphate + ADP + H⁺

D-hexose + ATP (Bound ligand (Het Group name = GLC) corresponds exactly) = D-hexose 6-phosphate + ADP + H(+)

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

DOI no: 10.1021/jm401116k

J Med Chem 56:7669-7678 (2013)

PubMed id: 24015910

Identification of a new class of glucokinase activators through structure-based design.

R.J.Hinklin, S.A.Boyd, M.J.Chicarelli, K.R.Condroski, W.E.DeWolf, P.A.Lee, W.Lee, A.Singh, L.Thomas, W.C.Voegtli, L.Williams, T.D.Aicher.

ABSTRACT

No abstract given.