Structure of PDB 1bg3 Chain A

Receptor sequence

>1bg3A (length=902) Species: 10116 (Rattus norvegicus)

MIAAQLLAYYFTELKDDQVKKIDKYLYAMRLSDEILIDILTRFKKEMKNG
LSRDYNPTASVKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNVS
MESEIYDTPENIVHGSGTQLFDHVADCLGDFMEKKKIKDKKLPVGFTFSF
PCRQSKIDEAVLITWTKRFKASGVEGADVVKLLNKAIKKRGDYDANIVAV
VNDTVGTMMTCGYDDQQCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMC
INTEWGAFGDDGSLEDIRTEFDRELDRGSLNPGKQLFEKMVSGMYMGELV
RLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKDKEGIQNAKEIL
TRLGVEPSDVDCVSVQHICTIVSFRSANLVAATLGAILNRLRDNKGTPRL
RTTVGVDGSLYKMHPQYSRRFHKTLRRLVPDSDVRFLLSESGTGKGAAMV
TAVAYRLAEQHRQIEETLAHFRLSKQTLMEVKKRLRTEMEMGLRKETNSK
ATVKMLPSFVRSIPDGTEHGDFLALDLGGTNFRVLLVKIRSRTVEMHNKI
YSIPLEIMQGTGDELFDHIVSCISDFLDYMGIKGPRMPLGFTFSFPCHQT
NLDCGILISWTKGFKATDCEGHDVASLLRDAVKRREEFDLDVVAVVNDTV
GTMMTCAYEEPTCEIGLIVGTGTNACYMEEMKNVEMVEGNQGQMCINMEW
GAFGDNGCLDDIRTDFDKVVDEYSLNSGKQRFEKMISGMYLGEIVRNILI
DFTKKGFLFRGQISEPLKTRGIFETKFLSQIESDRLALLQVRAILQQLGL
NSTCDDSILVKTVCGVVSKRAAQLCGAGMAAVVEKIRENRGLDHLNVTVG
VDGTLYKLHPHFSRIMHQTVKELSPKCTVSFLLSEDGSGKGAALITAVGV
RL

3D structure

• PDB: 1bg3 The structure of mammalian hexokinase-1.
• Chain: A
• Resolution: 2.8 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): R539 S603 S618 D657
• Catalytic site (residue number reindexed from 1): R533 S594 S609 D648
• 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	BGC	A	S155 F156 T172 K173 N208 D209 N235 E260 E294	S149 F150 T166 K167 N202 D203 N229 E254 E288
BS02	G6P	A	D84 G87 S88 D209 G231 T232 D413 S415 T449	D84 G87 S88 D203 G225 T226 D407 S409 T443
BS03	BGC	A	F604 T620 K621 N656 D657 N683 E708 E742	F595 T611 K612 N647 D648 N674 E699 E733
BS04	G6P	A	D532 G535 T536 D657 G679 T680 D861 T863 S897	D526 G529 T530 D648 G670 T671 D852 T854 S888

Gene Ontology

Molecular Function

• GO:0004340 glucokinase activity
• GO:0004396 hexokinase activity
• GO:0004672 protein kinase 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
• GO:0016887 ATP hydrolysis activity
• GO:0019158 mannokinase activity
• GO:0042802 identical protein binding
• GO:0042834 peptidoglycan binding
• GO:0044877 protein-containing complex binding
• GO:0047931 glucosamine kinase activity

Biological Process

• GO:0001666 response to hypoxia
• GO:0001678 intracellular glucose homeostasis
• GO:0002720 positive regulation of cytokine production involved in immune response
• GO:0002931 response to ischemia
• GO:0005975 carbohydrate metabolic process
• GO:0006002 fructose 6-phosphate metabolic process
• GO:0006006 glucose metabolic process
• GO:0006013 mannose metabolic process
• GO:0006096 glycolytic process
• GO:0006954 inflammatory response
• GO:0009741 response to brassinosteroid
• GO:0016310 phosphorylation
• GO:0019318 hexose metabolic process
• GO:0032731 positive regulation of interleukin-1 beta production
• GO:0043066 negative regulation of apoptotic process
• GO:0045087 innate immune response
• GO:0046835 carbohydrate phosphorylation
• GO:0051156 glucose 6-phosphate metabolic process
• GO:0061621 canonical glycolysis
• GO:0061728 GDP-mannose biosynthetic process from mannose
• GO:0072655 establishment of protein localization to mitochondrion
• GO:0072656 maintenance of protein location in mitochondrion
• GO:0141199 GDP-mannose biosynthetic process from glucose
• GO:1901986 response to ketamine

Cellular Component

• GO:0005737 cytoplasm
• GO:0005739 mitochondrion
• GO:0005741 mitochondrial outer membrane
• GO:0005829 cytosol
• GO:0005901 caveola
• GO:0032991 protein-containing complex
• GO:0045121 membrane raft

External links

• PDB: RCSB:1bg3, PDBe:1bg3, PDBj:1bg3
• PDBsum: 1bg3
• PubMed: 9665168
• UniProt: P05708|HXK1_RAT Hexokinase-1 (Gene Name=Hk1)