Structure of PDB 3ll3 Chain B Binding Site BS02

Receptor Information
>3ll3 Chain B (length=490) Species: 1579 (Lactobacillus acidophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKYIIGMDVGTTATKGVLYDINGKAVASVSKGYPLIQTKVGQAEEDPKLI
FDAVQEIIFDLTQKIDGKIAAISWSSQMHSLIGLGSDDELLTNSITWADN
CAKSIVQDAKNRGFAQQIYRKTGMPMHPMAPIYKLLWLKNKKTEVFSQAQ
KWIGIKEYIIFRLTGKLVTDTTMAAGTGILNLKTLTWDQELLDILKIKKE
QLPKIAQPTKVIFPIKTEYVKKLGIDSDTKIILGASDGYLSTIGVNAIDS
DHCALNVGTSGAIRTIVDQPKIDPSASYFCYPADKTHYLLGGPVNNGGIV
FNWARQTLFADETPQDFLDVAQTAPAGSRNLIFLPYLGGERAPIWDANAR
GSFVGLTRMHQKPEMARAVIEGIIFNLYDAASNLIKNTKKPVAINATGGF
LKSDFVRQLCANIFNVPIVTMKEQQSGTLAAMFLARQALGLNQDLSEIGQ
FAQADKVYFPNPKEAATYQKLFPLYCEIRNALAASYGKFS
Ligand information
Ligand IDDXP
InChIInChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/t4-,5-/m1/s1
InChIKeyAJPADPZSRRUGHI-RFZPGFLSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0CC(=O)C(C(COP(=O)(O)O)O)O
CACTVS 3.341CC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.341CC(=O)[C@@H](O)[C@H](O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(=O)C
FormulaC5 H11 O7 P
Name1-DEOXY-D-XYLULOSE-5-PHOSPHATE
ChEMBLCHEMBL1232414
DrugBankDB02496
ZINC
PDB chain3ll3 Chain B Residue 3265 [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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PDB3ll3 The crystal structure of xylulose kinase from Lactobacillus acidophilus
Resolution2.002 Å
Binding residue
(original residue number in PDB)		H127 N295 G339 E341 A348
Binding residue
(residue number reindexed from 1)		H127 N295 G338 E340 A347
Annotation score2
Enzymatic activity
Enzyme Commision number 2.7.1.12: gluconokinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016773 phosphotransferase activity, alcohol group as acceptor
GO:0046316 gluconokinase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0016310 phosphorylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3ll3, PDBe:3ll3, PDBj:3ll3
PDBsum3ll3
PubMed
UniProtQ5FM28

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