Structure of PDB 5lu6 Chain B Binding Site BS01

Receptor Information
>5lu6 Chain B (length=194) Species: 28450 (Burkholderia pseudomallei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NRELTYITNSIAEAQRVMAAMLADERLLATVRKVADACIASIAQGGKVLL
AGNGGSAADAQQIAGEFVSRFAFDRPGLPAVALTTDTSILTAIGNDYGYE
KLFSRQVQALGNEGDVLIGYSTSGKSPNILAAFREAKAKGMTCVGFTGNR
GGEMRELCDLLLEVPSADTPKIQEGHLVLGHIVCGLVEHSIFGK
Ligand information
Ligand IDI22
InChIInChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5-,6-,7+/m1/s1
InChIKeyJDTUMPKOJBQPKX-GBNDHIKLSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OCC(=O)[CH](O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.370OCC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.2C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O
ACDLabs 12.01O=P(OCC(O)C(O)C(O)C(O)C(=O)CO)(O)O
OpenEye OEToolkits 1.7.2C(C(C(C(C(C(=O)CO)O)O)O)O)OP(=O)(O)O
FormulaC7 H15 O10 P
NameD-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE;
7-O-PHOSPHONO-D-ALTRO-HEPT-2-ULOSE;
SEDOHEPTULOSE 7-PHOSPHATE
ChEMBL
DrugBank
ZINCZINC000005132038
PDB chain5lu6 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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PDB5lu6 A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Resolution1.67 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:5lu6, PDBe:5lu6, PDBj:5lu6
PDBsum5lu6
PubMed29184087
UniProtQ93UJ2|GMHA_BURPS Phosphoheptose isomerase (Gene Name=gmhA)

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