Structure of PDB 4p8e Chain B Binding Site BS03

Receptor Information
>4p8e Chain B (length=217) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMNQSSLLAEFGDPITRVENALQALREGRGVLLLDDEDRENEGDIIYAV
ESLTTAQMALMIRECSGIVCLCLTEAQADRLALPPMVVNNNSANQTAFTV
SIEAKHGVTTGVSAQDRVTTIKTAANPQAKPEDLARPGHVFPLRARAGGV
LARRGHTEGTVDLMQMAGLQPAGVLCELTNPDGSMAKTPEIIEFGKLHNM
PVLTIEDMVQYRIQFDL
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4p8e Chain B Residue 307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4p8e Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae.
Resolution2.04 Å
Binding residue
(original residue number in PDB)		E62 H196
Binding residue
(residue number reindexed from 1)		E64 H198
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E39 D43 C68 N92 F96 E101 H137 H154 E175
Catalytic site (residue number reindexed from 1) E41 D45 C70 N94 F98 E103 H139 H156 E177
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:4p8e, PDBe:4p8e, PDBj:4p8e
PDBsum4p8e
PubMed25792735
UniProtQ9KKP2|RIBB_VIBCH 3,4-dihydroxy-2-butanone 4-phosphate synthase (Gene Name=ribB)

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