Structure of PDB 7uf2 Chain A Binding Site BS01

Receptor Information
>7uf2 Chain A (length=209) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NQSSLLAEFGDPITRVENALQALREGRGVLLLDDEDRENEGDIIYAVESL
TTAQMALMIRECSGIVCLCLTEAQADRLALPPMVVTAFTVSIEAKHGVTT
GVSAQDRVTTIKTAANPQAKPEDLARPGHVFPLRARAGGVLARRGHTEGT
VDLMQMAGLQPAGVLCELTNPDGSMAKTPEIIEFGKLHNMPVLTIEDMVQ
YRIQFDLKL
Ligand information
Ligand ID5SP
InChIInChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1
InChIKeyFNZLKVNUWIIPSJ-RFZPGFLSSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=P(OCC(O)C(O)C(=O)CO)(O)O
OpenEye OEToolkits 1.7.0C(C(C(C(=O)CO)O)O)OP(=O)(O)O
CACTVS 3.370OCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.370OCC(=O)[C@@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O
FormulaC5 H11 O8 P
Name5-O-phosphono-D-xylulose;
D-xylulose 5-phosphate
ChEMBL
DrugBankDB04034
ZINCZINC000030320708
PDB chain7uf2 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7uf2 Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R38 E39 C68 T94 F96 R151 G153 H154 T155 E175
Binding residue
(residue number reindexed from 1)		R37 E38 C67 T86 F88 R143 G145 H146 T147 E167
Annotation score5
Enzymatic activity
Enzyme Commision number 4.1.99.12: 3,4-dihydroxy-2-butanone-4-phosphate synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0008686 3,4-dihydroxy-2-butanone-4-phosphate synthase activity
GO:0016829 lyase activity
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0009231 riboflavin biosynthetic process
Cellular Component
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:7uf2, PDBe:7uf2, PDBj:7uf2
PDBsum7uf2
PubMed35802469
UniProtQ9KKP2|RIBB_VIBCH 3,4-dihydroxy-2-butanone 4-phosphate synthase (Gene Name=ribB)

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