Structure of PDB 4dz4 Chain D Binding Site BS03

Receptor Information
>4dz4 Chain D (length=317) Species: 271848 (Burkholderia thailandensis E264) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETLYGDGAIRRPSVYGSSIENTYAGVLSFMRRNYTRDLDGVDVVVSGVPL
DLATTFRSGARLGPSAVRAASVQLAELNPYPWGFDPFDDLAVIDYGDCWF
DAHHPLSIKPAIVEHARTILQSDARMLTLGGDHYITYPLLIAHAQKYGKP
LSLIHFDAHCDTWADDADSLNHGTMFYKAVKDGLIDPKASVQVGIRTWND
DYLGINVLDAAWVHEHGARATLERIESIVGGRPAYLTFDIDCLDPAFAPG
TGTPVAGGLSSAQALAIVRGLGGVNLIGADVVEVAPAYDQSEITAIAAAH
VACDLLCLWRQRKAGAR
Ligand information
Ligand IDUNK
InChIInChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1
InChIKeyQWCKQJZIFLGMSD-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCC(C(=O)O)N
OpenEye OEToolkits 1.5.0CC[C@@H](C(=O)O)N
CACTVS 3.341CC[C@H](N)C(O)=O
CACTVS 3.341CC[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)CC
FormulaC4 H9 N O2
NameUNKNOWN
ChEMBLCHEMBL1230782
DrugBank
ZINCZINC000000901351
PDB chain4dz4 Chain D Residue 412 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dz4 Combining functional and structural genomics to sample the essential Burkholderia structome.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D163 H175
Binding residue
(residue number reindexed from 1)		D161 H172
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H135 D159 H161 D163 H175 D242 D244 E286
Catalytic site (residue number reindexed from 1) H133 D157 H159 D161 H172 D239 D241 E283
Enzyme Commision number 3.5.3.11: agmatinase.
Gene Ontology
Molecular Function
GO:0008783 agmatinase activity
GO:0016787 hydrolase activity
GO:0016813 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amidines
GO:0046872 metal ion binding
Biological Process
GO:0033389 putrescine biosynthetic process from arginine, using agmatinase

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Molecular Function
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Biological Process
External links
PDB RCSB:4dz4, PDBe:4dz4, PDBj:4dz4
PDBsum4dz4
PubMed23382856
UniProtQ2T3W4

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