Structure of PDB 8v2t Chain A Binding Site BS01

Receptor Information
>8v2t Chain A (length=191) Species: 357348 (Burkholderia pseudomallei 1106a) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTYITNSIAEAQRVMAAMLADERLLATVRKVADACIASIAQGGKVLLAGN
GGSAADAQHIAGEFVSRFAFDRPGLPAVALTTDTSILTAIGNDYGYEKLF
SRQVQALGNEGDVLIGYSTSGKSPNILAAFREAKAKGMTCVGFTGNRGGE
MRELCDLLLEVPSADTPKIQEGHLVLGHIVCGLVEHSIFGK
Ligand information
Ligand IDXLR
InChIInChI=1S/C7H14F2NO8P/c8-7(9,19(16,17)18)1-4(12)6(14)5(13)2-10(15)3-11/h3-6,12-15H,1-2H2,(H2,16,17,18)/t4-,5+,6-/m1/s1
InChIKeyJNDAAKGDFVOUBF-NGJCXOISSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(C(C(C(CN(C=O)O)O)O)O)C(F)(F)P(=O)(O)O
ACDLabs 12.01FC(F)(CC(O)C(O)C(O)CN(O)C=O)P(=O)(O)O
CACTVS 3.385O[CH](CN(O)C=O)[CH](O)[CH](O)CC(F)(F)[P](O)(O)=O
CACTVS 3.385O[C@@H](CN(O)C=O)[C@H](O)[C@H](O)CC(F)(F)[P](O)(O)=O
OpenEye OEToolkits 2.0.7C([C@H]([C@H]([C@H](CN(C=O)O)O)O)O)C(F)(F)P(=O)(O)O
FormulaC7 H14 F2 N O8 P
Name1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol
ChEMBL
DrugBank
ZINC
PDB chain8v2t Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8v2t Potentiating Activity of GmhA Inhibitors on Gram-negative Bacteria
Resolution1.402 Å
Binding residue
(original residue number in PDB)		N55 G57 S123 T124 S125 S128 T171 Q175
Binding residue
(residue number reindexed from 1)		N50 G52 S118 T119 S120 S123 T166 Q170
Annotation score1
Enzymatic activity
Enzyme Commision number 5.3.1.28: D-sedoheptulose-7-phosphate isomerase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0008968 D-sedoheptulose 7-phosphate isomerase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
GO:0097367 carbohydrate derivative binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0045227 capsule polysaccharide biosynthetic process
GO:1901135 carbohydrate derivative metabolic process
GO:2001061 D-glycero-D-manno-heptose 7-phosphate biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8v2t, PDBe:8v2t, PDBj:8v2t
PDBsum8v2t
PubMed38598312
UniProtQ93UJ2|GMHA_BURPS Phosphoheptose isomerase (Gene Name=gmhA)

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