Structure of PDB 5hg1 Chain A

Receptor sequence
>5hg1A (length=867) Species: 9606 (Homo sapiens) [Search protein sequence]
DQVQKVDQYLYHMRLSDETLLEISKRFRKEMEKGLGATTHPTAAVKMLPT
FVRSTPDGTEHGEFLALDLGGTNFRVLWVKVTDNGLQKVEMENQIYGTQL
FDHIAECLANFMDKLQIKDKKLPLGFTFSFPCHQTKLDESFLVSGRDVVA
LIRKAIQIDIVAVVNDTVGTMMTCGYDDHNCEIGLIVGTGSNACYMEEMR
HIDMVEGDEGRMCINMEWGAFGDDGSLNDIRTEFDQEIDMGSLNPGKQLF
EKMISGMYMGELVRLILVKMAKEELLFGGKLSPELLNTGRFETKDISDIE
GEKDGIRKAREVLMRLGLDPTQEDCVATHRICQIVSTRSASLCAATLAAV
LQRIKENKGEERLRSTIGVDGSVYKKHPHFAKRLHKTVRRLVPGCDVRFL
RSEDGSGKGAAMVTAVAYRLADQHRARQKTLEHLQLSHDQLLEVKRRMKV
EMERGLSKETHASAPVKMLPTYVCATPDGTEKGDFLALDLGGTNFRVLLV
RVRNGGVEMHNKIYAIPQEVMHGTGDELFDHIVQCIADFLEYMGMKGVSL
PLGFTFSFPCQQNSLDESILLKWTKGFKASGCEGEDVVTLLKEAIHRREE
FDLDVVAVVNDTVGTMMTCGFEDPHCEVGLIVGTGSNACYMEEMRNVELV
EGEEGRMCVNMEWGAFGDNGCLDDFRTEFDVAVDELSLNPGKQRFEKMIS
GMYLGEIVRNILIDFTKRGLLFRGRISERLKTRGIFETKFLSQIESDCLA
LLQVRAILQHLGLESTCDDSIIVKEVCTVVARRAAQLCGAGMAAVVDRIR
ENRGLDALKVTVGVDGTLYKLHPHFAKVMHETVKDLAPKCDVSFLQSEDG
SGKGAALITAVACRIRE
3D structure
PDB5hg1 Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
ChainA
Resolution2.76 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) R539 S603 K618 D657
Catalytic site (residue number reindexed from 1) R496 S557 K572 D611
Enzyme Commision number 2.7.1.1: hexokinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 62C A P605 K618 T620 K621 N656 D657 I677 G681 N683 E708 N735 K738 Q739 E742 P559 K572 T574 K575 N610 D611 I631 G635 N637 E662 N689 K692 Q693 E696 PDBbind-CN: -logKd/Ki=5.20,IC50=6.3uM
BS02 62C A D209 N235 E260 K290 E294 D166 N192 E217 K247 E251 PDBbind-CN: -logKd/Ki=5.20,IC50=6.3uM
BS03 BG6 A D532 T536 D657 T680 D861 T863 G896 S897 D489 T493 D611 T634 D815 T817 G850 S851
Gene Ontology
Molecular Function
GO:0004340 glucokinase activity
GO:0004396 hexokinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0005536 D-glucose binding
GO:0008865 fructokinase activity
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
Biological Process
GO:0001666 response to hypoxia
GO:0001678 intracellular glucose homeostasis
GO:0002931 response to ischemia
GO:0005975 carbohydrate metabolic process
GO:0006002 fructose 6-phosphate metabolic process
GO:0006006 glucose metabolic process
GO:0006096 glycolytic process
GO:0007595 lactation
GO:0008637 apoptotic mitochondrial changes
GO:0016310 phosphorylation
GO:0019318 hexose metabolic process
GO:0035795 negative regulation of mitochondrial membrane permeability
GO:0045766 positive regulation of angiogenesis
GO:0046324 regulation of D-glucose import
GO:0046835 carbohydrate phosphorylation
GO:0051156 glucose 6-phosphate metabolic process
GO:0061621 canonical glycolysis
GO:0072655 establishment of protein localization to mitochondrion
GO:0072656 maintenance of protein location in mitochondrion
GO:1901135 carbohydrate derivative metabolic process
GO:1990830 cellular response to leukemia inhibitory factor
GO:2000378 negative regulation of reactive oxygen species metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005741 mitochondrial outer membrane
GO:0005813 centrosome
GO:0005829 cytosol
GO:0016020 membrane
GO:0016529 sarcoplasmic reticulum
GO:0043231 intracellular membrane-bounded organelle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5hg1, PDBe:5hg1, PDBj:5hg1
PDBsum5hg1
PubMed26985301
UniProtP52789|HXK2_HUMAN Hexokinase-2 (Gene Name=HK2)

[Back to BioLiP]