Structure of PDB 3gk0 Chain F Binding Site BS01

Receptor Information
>3gk0 Chain F (length=244) Species: 320372 (Burkholderia pseudomallei 1710b) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIDLGVNIDHVATLRNARGTAYPDPVRAALAAEDAGADAITLHLREDRRH
IVDADVRTLRPRVKTRMNLECAVTPEMLDIACEIRPHDACLVPEKRSELT
TEGGLDVVGHFDAVRAACKQLADAGVRVSLFIDPDEAQIRAAHETGAPVI
ELHTGRYADAHDAAEQQREFERIATGVDAGIALGLKVNAGHGLHYTNVQA
IAALPGIAELNIGHAIVAHAVFVGWDNAVREMKAIMVAARVAAL
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 chain3gk0 Chain F Residue 258 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gk0 Combining functional and structural genomics to sample the essential Burkholderia structome.
Resolution2.28 Å
Binding residue
(original residue number in PDB)		Y204 H223 A224
Binding residue
(residue number reindexed from 1)		Y195 H214 A215
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) N16 H19 H52 R54 R58 E79 T110 E160 H200
Catalytic site (residue number reindexed from 1) N7 H10 H43 R45 R49 E70 T101 E151 H191
Enzyme Commision number 2.6.99.2: pyridoxine 5'-phosphate synthase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016769 transferase activity, transferring nitrogenous groups
GO:0033856 pyridoxine 5'-phosphate synthase activity
Biological Process
GO:0008615 pyridoxine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3gk0, PDBe:3gk0, PDBj:3gk0
PDBsum3gk0
PubMed23382856
UniProtQ3JQ80|PDXJ_BURP1 Pyridoxine 5'-phosphate synthase (Gene Name=pdxJ)

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