Structure of PDB 2xbl Chain A Binding Site BS02

Receptor Information
>2xbl Chain A (length=194) Species: 272560 (Burkholderia pseudomallei K96243) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRELTYITNSIAEAQRVMAAMLADERLLATVRKVADACIASIAQGGKVLL
AGNGGSAADAQHIAGEFVSRFAFDRPGLPAVALTTDTSILTAIGNDYGYE
KLFSRQVQALGNEGDVLIGYSTSGKSPNILAAFREAKAKGMTCVGFTGNR
GGEMRELCDLLLEVPSADTPKIQEGHLVLGHIVCGLVEHSIFGK
Ligand information
Ligand IDM7P
InChIInChI=1S/C7H15O10P/c8-2(1-16-18(13,14)15)6-4(10)3(9)5(11)7(12)17-6/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4+,5+,6-,7+/m1/s1
InChIKeySDADNVAZGVDAIM-QTNLNCNHSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(O)C1OC(O)C(O)C(O)C1O
OpenEye OEToolkits 1.5.0C(C(C1C(C(C(C(O1)O)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O
FormulaC7 H15 O10 P
Name7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose;
D-GLYCERO-D-MANNOPYRANOSE-7-PHOSPHATE;
7-O-phosphono-D-glycero-alpha-D-manno-heptose;
7-O-phosphono-D-glycero-D-manno-heptose;
7-O-phosphono-D-glycero-manno-heptose
ChEMBL
DrugBankDB02470
ZINCZINC000004097442
PDB chain2xbl Chain A Residue 1198 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xbl The Structure of Sedoheptulose-7-Phosphate Isomerase from Burkholderia Pseudomallei Reveals a Zinc Binding Site at the Heart of the Active Site.
Resolution1.62 Å
Binding residue
(original residue number in PDB)		G56 G57 S123 T124 S125 S128 T171 Q175
Binding residue
(residue number reindexed from 1)		G54 G55 S121 T122 S123 S126 T169 Q173
Annotation score5
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:2xbl, PDBe:2xbl, PDBj:2xbl
PDBsum2xbl
PubMed20447408
UniProtQ93UJ2|GMHA_BURPS Phosphoheptose isomerase (Gene Name=gmhA)

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