Structure of PDB 3kzb Chain A Binding Site BS01

Receptor Information
>3kzb Chain A (length=498) Species: 536 (Chromobacterium violaceum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLAFYIATFDIGTTEVKAALADRDGGLHFQRSIALETYGDGNGPVEQDAG
DWYDAVQRIASSWWQSGVDARRVSAIVLSGQMQNFLPLDQDHEPLHRAVL
YSDKRPLKEAEEINARHGADNLWSALENPMTAASILPKLVFWRASFPQAF
GRLRHVVLGAKDYVVLRLTGRHATDRTNASTTGLYRPKDDAWHVELLADY
GFSLDLMPRLLEPGEQVGGVSALAARQTGFVSGTPVLCGLGDAGAATLGV
GVLDDEDAYLHLGTTGWLARLTQTDPVGDMPVGTIFRLAGIIAGKTLQVA
PVLNAGNILQWALTLVGHRPGEDCAEYFHMAAAEVQGVTVPDGLLFVPYL
HAERCPVELPAPRGALLGVTGATTRAQILLAVLEGAALSLRWCAELLGME
KVGLLKVVGGGARSEAWLRMIADNLNVSLLVKPDAHLHPLRGLAALAAVE
LEWSHSIQDFLREADLRESNILHPQPCDEGRRRRKFERFKQCVETLGR
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain3kzb Chain A Residue 1760 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3kzb Crystal structure of xylulokinase from Chromobacterium violaceum
Resolution2.705 Å
Binding residue
(original residue number in PDB)		G262 T263 G305 Q309 F327 G409 R412
Binding residue
(residue number reindexed from 1)		G263 T264 G306 Q310 F328 G410 R413
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.17: xylulokinase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004856 D-xylulokinase activity
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0016310 phosphorylation
GO:0046835 carbohydrate phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3kzb, PDBe:3kzb, PDBj:3kzb
PDBsum3kzb
PubMed
UniProtQ7NWW7

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