Structure of PDB 6twm Chain A Binding Site BS02

Receptor Information
>6twm Chain A (length=326) Species: 246200 (Ruegeria pomeroyi DSS-3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNPISPTIPLDRDGVFHGFLKLPHSRDDSAWGSVMIPLTVIKNGAGPTAL
LTGANHGDEYEGPVALHELAATTSAEDVTGRLIIVPAFNYPAFRAGSRTS
PIDRGNLNRSFPGRPDGTVTEKIADYFQRTLLPMADLAVDFHSGGKTLDF
VPFAAAHILEDKATQAACFAAMKAFNAPYSVELLEIDSAGMYDTAVEEMG
KVLVTTELGGGGSSSARSNAIAKKGLRNVLIHAGILKGEMQLDETVNLTM
PDDDCFVFSEGDGLFEMMIDLGAPVAKGDLLARVWPLDRTGQPPVEYRAR
RAGLVISRHFPGLIKSGDCVAVVGVT
Ligand information
Ligand IDDAB
InChIInChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1
InChIKeyOGNSCSPNOLGXSM-VKHMYHEASA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0C(CN)[C@@H](C(=O)O)N
CACTVS 3.341NCC[C@H](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCN
OpenEye OEToolkits 1.5.0C(CN)C(C(=O)O)N
FormulaC4 H10 N2 O2
Name2,4-DIAMINOBUTYRIC ACID
ChEMBLCHEMBL321357
DrugBankDB03817
ZINCZINC000052986906
PDB chain6twm Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6twm Degradation of the microbial stress protectants and chemical chaperones ectoine and hydroxyectoine by a bacterial hydrolase-deacetylase complex.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E187 E209
Binding residue
(residue number reindexed from 1)		E185 E207
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0016811 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
GO:0046872 metal ion binding
Biological Process
GO:0008150 biological_process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6twm, PDBe:6twm, PDBj:6twm
PDBsum6twm
PubMed32404365
UniProtQ5LUB5

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