Structure of PDB 3obb Chain A Binding Site BS01

Receptor Information
>3obb Chain A (length=295) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKQIAFIGLGHMGAPMATNLLKAGYLLNVFDLVQSAVDGLVAAGASAARS
ARDAVQGADVVISMLPASQHVEGLYLDDDGLLAHIAPTLVLECSTIAPTS
ARKIHAAARERGLAMLDAPVSGGTAGAAAGTLTFMVGGDAEALEKARPLF
EAMGRNIFHAGPDGAGQVAKVCNNQLLAVLMIGTAEAMALGVANGLEAKV
LAEIMRRSSGGNWALEVYNPWPGVMENAPASRDYSGGFMAQLMAKDLGLA
QEAAQASASSTPMGSLALSLYRLLLKQGYAERDFSVVQKLFDPTQ
Ligand information
Ligand IDEPE
InChIInChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKeyJKMHFZQWWAIEOD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=S(=O)(O)CCN1CCN(CCO)CC1
OpenEye OEToolkits 1.5.0C1CN(CCN1CCO)CCS(=O)(=O)O
CACTVS 3.341OCCN1CCN(CC1)CC[S](O)(=O)=O
FormulaC8 H18 N2 O4 S
Name4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID;
HEPES
ChEMBLCHEMBL1232545
DrugBankDB16872
ZINCZINC000019203136
PDB chain3obb Chain A Residue 299 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3obb Biochemical and Structural Studies of Uncharacterized Protein PA0743 from Pseudomonas aeruginosa Revealed NAD+-dependent L-Serine Dehydrogenase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G123 G124 K171 N175 W214 Y219 F239
Binding residue
(residue number reindexed from 1)		G122 G123 K170 N174 W213 Y218 F238
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.387: L-serine 3-dehydrogenase (NAD(+)).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008442 3-hydroxyisobutyrate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0050661 NADP binding
GO:0051287 NAD binding
Biological Process
GO:0006565 L-serine catabolic process
GO:0009083 branched-chain amino acid catabolic process
GO:0016054 organic acid catabolic process
GO:0051289 protein homotetramerization

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3obb, PDBe:3obb, PDBj:3obb
PDBsum3obb
PubMed22128181
UniProtQ9I5I6|SERDH_PSEAE NAD-dependent L-serine dehydrogenase (Gene Name=PA0743)

[Back to BioLiP]