Structure of PDB 4b8s Chain A Binding Site BS02

Receptor Information
>4b8s Chain A (length=466) Species: 2265 (Thermococcus litoralis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KESLKDRIRLWKRLYVNAFENALNAIPNVKGVLLAYNTNIDAIKYLDKDD
LEKRVTEIGKEKVFEIIENPPEKISSIEELLGGILRSIKLGKAMEWFVES
EEVRRYLREWGWDELRIGGQAGIMANLLGGVYRIPTIVHVPQNPKLQAEL
FVDGPIYVPVFEGNKLKLVHPKDAIAEEEELIHYIYEFPRGFQVFDVQAP
RENRFIANADDYNARVYMRREFREGFEEITRNVELAIISGLQVLKEYYPD
GTTYRDVLDRVESHLNILNRYNVKSHFEFAYTANRRVREALVELLPKFTS
VGLNEVELASIMEIIGDEELAKEVLEGHIFSVIDAMNVLMDETGIERIHF
HTYGYYLALTQYRGEEVRDALLFASLAAAAKAMKGNLERIEQIRDALSVP
TNERAIVLEEELEKEFTEFENGLIDMVDRQLAFVPTKIVASPKSTVGIGD
TISSSAFVSEFGMRKR
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain4b8s Chain A Residue 1472 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4b8s Crystal Structure, Saxs and Kinetic Mechanism of Hyperthermophilic Adp-Dependent Glucokinase from Thermococcus Litoralis Reveal a Conserved Mechanism for Catalysis.
Resolution2.58 Å
Binding residue
(original residue number in PDB)		N305 H352 T353 V440 I449 I453
Binding residue
(residue number reindexed from 1)		N304 H351 T352 V439 I448 I452
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.-
2.7.1.147: ADP-specific glucose/glucosamine kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004340 glucokinase activity
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0043843 ADP-specific glucokinase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006006 glucose metabolic process
GO:0006096 glycolytic process
GO:0016310 phosphorylation
GO:0051156 glucose 6-phosphate metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4b8s, PDBe:4b8s, PDBj:4b8s
PDBsum4b8s
PubMed23818958
UniProtQ7M537|GLKA_THELN ADP-dependent glucose/glucosamine kinase (Gene Name=glkA)

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