Structure of PDB 1w3t Chain D Binding Site BS03

Receptor Information
>1w3t Chain D (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 ID3GR
InChIInChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1
InChIKeyMNQZXJOMYWMBOU-VKHMYHEASA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C@@H](O)C=O
ACDLabs 12.01C(O)C(O)C=O
OpenEye OEToolkits 2.0.7C(C(C=O)O)O
OpenEye OEToolkits 2.0.7C([C@H](C=O)O)O
CACTVS 3.385OC[CH](O)C=O
FormulaC3 H6 O3
NameD-Glyceraldehyde;
GLYCERALDEHYDE;
(2R)-2,3-DIHYDROXYPROPANAL
ChEMBL
DrugBankDB02536
ZINCZINC000000895313
PDB chain1w3t Chain D Residue 1297 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1w3t The structural basis for substrate promiscuity in 2-keto-3-deoxygluconate aldolase from the Entner-Doudoroff pathway in Sulfolobus solfataricus.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y130 Y132 K155 T157
Binding residue
(residue number reindexed from 1)		Y129 Y131 K154 T156
Annotation score2
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:1w3t, PDBe:1w3t, PDBj:1w3t
PDBsum1w3t
PubMed15265860
UniProtO54288|KDGA_SACSO 2-dehydro-3-deoxy-phosphogluconate/2-dehydro-3-deoxy-6-phosphogalactonate aldolase

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