Structure of PDB 5ltz Chain A Binding Site BS02

Receptor Information
>5ltz Chain A (length=193) 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
GGEMRELCDLLLEVPSADTPKIEEGHLVLGHIVCGLVEHSIFG
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 chain5ltz Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ltz A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Resolution1.67 Å
Binding residue
(original residue number in PDB)		G56 G57 S123 T124 S125 S128 E175
Binding residue
(residue number reindexed from 1)		G54 G55 S121 T122 S123 S126 E173
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:5ltz, PDBe:5ltz, PDBj:5ltz
PDBsum5ltz
PubMed29184087
UniProtQ93UJ2|GMHA_BURPS Phosphoheptose isomerase (Gene Name=gmhA)

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