Structure of PDB 7uf5 Chain A Binding Site BS02

Receptor Information
>7uf5 Chain A (length=208) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NQSSLLAEFGDPITRVENALQALREGRGVLLLDDEDRENEGDIIYAVESL
TTAQMALMIRECSGIVCLCLTEAQADRLALPPMVVAFTVSIEAKHGVTTG
VSAQDRVTTIKTAANPQAKPEDLARPGHVFPLRARAGGVLARRGHTEGTV
DLMQMAGLQPAGVLCELTNPDGSMAKTPEIIEFGKLHNMPVLTIEDMVQY
RIQFDLKL
Ligand information
Ligand IDN4O
InChIInChI=1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)/t4-/m1/s1
InChIKeyOKYHYXLCTGGOLM-SCSAIBSYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)C(COP(=O)(O)O)O
CACTVS 3.385CC(=O)[C@H](O)CO[P](O)(O)=O
CACTVS 3.385CC(=O)[CH](O)CO[P](O)(O)=O
OpenEye OEToolkits 2.0.7CC(=O)[C@@H](COP(=O)(O)O)O
ACDLabs 12.01O=P(O)(O)OCC(O)C(C)=O
FormulaC4 H9 O6 P
Name(2R)-2-hydroxy-3-oxobutyl dihydrogen phosphate
ChEMBL
DrugBank
ZINCZINC000030729405
PDB chain7uf5 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7uf5 Evidence for the Chemical Mechanism of RibB (3,4-Dihydroxy-2-butanone 4-phosphate Synthase) of Riboflavin Biosynthesis.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R38 D43 R151 G153 H154 T155 L173 E175
Binding residue
(residue number reindexed from 1)		R37 D42 R142 G144 H145 T146 L164 E166
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:7uf5, PDBe:7uf5, PDBj:7uf5
PDBsum7uf5
PubMed35802469
UniProtQ9KKP2|RIBB_VIBCH 3,4-dihydroxy-2-butanone 4-phosphate synthase (Gene Name=ribB)

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