Structure of PDB 2xbl Chain D Binding Site BS02

Receptor Information
>2xbl Chain D (length=195) 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
GGEMRELCDLLLEVPSADTPKIQEGHLVLGHIVCGLVEHSIFGKQ
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 C Residue 1197 [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)		N97 D98
Binding residue
(residue number reindexed from 1)		N95 D96
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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