Structure of PDB 1qha Chain B

Receptor sequence

>1qhaB (length=899) Species: 9606 (Homo sapiens)

DDQVKKIDKYLYAMRLSDETLIDIMTRFRKEMKNGLSRDFNPTATVKMLP
TFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEKNQNVHMESEVYDTP
ENIVHGSGSQLFDHVAECLGDFMEKRKIKDKKLPVGFTFSFPCQQSKIDE
AILITWTKRFKASGVEGADVVKLLNKAIKKRGDYDANIVAVVNDTVGTMM
TCGYDDQHCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMCINTEWGAFG
DDGSLEDIRTEFDREIDRGSLNPGKQLFEKMVSGMYLGELVRLILVKMAK
EGLLFEGRITPELLTRGKFNTSDVSAIEKNKEGLHNAKEILTRLGVEPSD
DDCVSVQHVCTIVSFRSANLVAATLGAILNRLRDNKGTPRLRTTVGVDGS
LYKTHPQYSRRFHKTLRRLVPDSDVRFLLSESGSGKGAAMVTAVAYRLAE
QHRQIEETLAHFHLTKDMLLEVKKRMRAEMELGLRKQTHNNAVVKMLPSF
VRRTPDGTENGDFLALDLGGTNFRVLLVKIRSGKKRTVEMHNKIYAIPIE
IMQGTGEELFDHIVSCISDFLDYMGIKGPRMPLGFTFSFPCQQTSLDAGI
LITWTKGFKATDCVGHDVVTLLRDAIKRREEFDLDVVAVVNDTVGTMMTC
AYEEPTCEVGLIVGTGSNACYMEEMKNVEMVEGDQGQMCINMEWGAFGDN
GCLDDIRTHYDRLVNEYSLNAGKQRYEKMISGMYLGEIVRNILIDFTKKG
FLFRGQISETLKTRGIFETKFLSQIESDRLALLQVRAILQQLGLNSTCDD
SILVKTVCGVVSRRAAQLCGAGMAAVVDKIRENRGLDRLNVTVGVDGTLY
KLHPHFSRIMHQTVKELSPKCNVSFLLSEDGSGKGAALITAVGVRLRTE

3D structure

• PDB: 1qha Binding of non-catalytic ATP to human hexokinase I highlights the structural components for enzyme-membrane association control.
• Chain: B
• Resolution: 2.25 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): R539 S603 T618 D657
• Catalytic site (residue number reindexed from 1): R524 S588 T603 D642
• 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	GLC	B	S155 F156 T172 K173 N208 D209 G233 N235 E260 E294	S140 F141 T157 K158 N193 D194 G218 N220 E245 E279
BS02	G6P	B	D84 G87 S88 D209 T232 D413 S415 S449	D69 G72 S73 D194 T217 D398 S400 S434
BS03	GLC	B	S603 T620 K621 N656 D657 N683 E708 E742	S588 T605 K606 N641 D642 N668 E693 E727
BS04	G6P	B	D532 T536 D657 G679 T680 D861 G862 T863 G896 S897	D517 T521 D642 G664 T665 D846 G847 T848 G881 S882
BS05	MG	B	V693 V696 G698	V678 V681 G683
BS06	MG	B	L242 I245 V248 G250	L227 I230 V233 G235
BS07	ANP	B	R30 H373 F380 R425 R426 K429	R15 H358 F365 R410 R411 K414

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
• GO:0019158 mannokinase activity
• GO:0042834 peptidoglycan binding
• GO:0047931 glucosamine kinase activity

Biological Process

• GO:0001678 intracellular glucose homeostasis
• GO:0002720 positive regulation of cytokine production involved in immune response
• 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:0009298 GDP-mannose biosynthetic process
• GO:0016310 phosphorylation
• GO:0019318 hexose metabolic process
• GO:0032731 positive regulation of interleukin-1 beta production
• 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:1901135 carbohydrate derivative metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005739 mitochondrion
• GO:0005741 mitochondrial outer membrane
• GO:0005829 cytosol
• GO:0045121 membrane raft

External links

• PDB: RCSB:1qha, PDBe:1qha, PDBj:1qha
• PDBsum: 1qha
• PubMed: 10574795
• UniProt: P19367|HXK1_HUMAN Hexokinase-1 (Gene Name=HK1)