Structure of PDB 6g3z Chain A Binding Site BS01

Receptor Information
>6g3z Chain A (length=293) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEIITPIITPFTKDNRIDKEKLKIHAENLIRKGIDKLFVNGTTGLGPSLS
PEEKLENLKAVYDVTNKIIFQVGGLNLDDAIRLAKLSKDFDIVGIASYAP
YYYPRMSEKHLVKYFKTLCEVSPHPVYLYNYPTATGKDIDAKVAKEIGCF
TGVKDTIENIIHTLDYKRLNPNMLVYSGSDMLIATVASTGLDGNVAAGSN
YLPEVTVTIKKLAMERKIDEALKLQFLHDEVIEASRIFGSLSSNYVLTKY
FQGYDLGYPRPPIFPLDDEEERQLIKKVEGIRAKLVELKILKE
Ligand information
Ligand IDELE
InChIInChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1
InChIKeyOVPRPPOVAXRCED-WVZVXSGGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[C@H](CO[P](O)(O)=O)[C@@H](O)CC(=O)C(O)=O
OpenEye OEToolkits 2.0.6C([C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O
OpenEye OEToolkits 2.0.6C(C(C(COP(=O)(O)O)O)O)C(=O)C(=O)O
CACTVS 3.385O[CH](CO[P](O)(O)=O)[CH](O)CC(=O)C(O)=O
FormulaC6 H11 O9 P
Name2-keto 3 deoxy 6 phospho gluconate
ChEMBLCHEMBL1162150
DrugBank
ZINC
PDB chain6g3z Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6g3z Insights into the Substrate Specificity of Archaeal Entner-Doudoroff Aldolases: The Structures of Picrophilus torridus 2-Keto-3-deoxygluconate Aldolase and Sulfolobus solfataricus 2-Keto-3-deoxy-6-phosphogluconate Aldolase in Complex with 2-Keto-3-deoxy-6-phosphogluconate.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		P7 G42 T43 T44 Y130 Y132 K155 T157
Binding residue
(residue number reindexed from 1)		P6 G41 T42 T43 Y129 Y131 K154 T156
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T43 Y103 Y130 A135 K155 V196
Catalytic site (residue number reindexed from 1) T42 Y102 Y129 A134 K154 V195
Enzyme Commision number 4.1.2.55: 2-dehydro-3-deoxy-phosphogluconate/2-dehydro-3-deoxy-6-phosphogalactonate aldolase.
Gene Ontology
Molecular Function
GO:0008674 2-dehydro-3-deoxy-6-phosphogalactonate aldolase activity
GO:0008675 2-dehydro-3-deoxy-phosphogluconate aldolase activity
GO:0008840 4-hydroxy-tetrahydrodipicolinate synthase activity
GO:0016829 lyase activity

View graph for
Molecular Function
External links
PDB RCSB:6g3z, PDBe:6g3z, PDBj:6g3z
PDBsum6g3z
PubMed29812914
UniProtO54288|KDGA_SACSO 2-dehydro-3-deoxy-phosphogluconate/2-dehydro-3-deoxy-6-phosphogalactonate aldolase

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