Structure of PDB 2dns Chain E Binding Site BS01

Receptor Information
>2dns Chain E (length=349) Species: 529 (Brucella anthropi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDLNNAIQGILDDHVARGVVGVSLALCLPGEETSLYQSGYADKKMPMTGD
HLFRIASCTKSFIATGLHLLVQDGTVDLDEPITRWFPDLPKAAQMPVRIL
LNHRSGLPDFETSMPMISDKSWTAQEIVDFSFRHGVQKEPWHGMEYSNTG
YVLAGMIIAHETGKPYSDHLRSRIFAPLGMKDTWVGTHETFPIEREARGY
MHAWDSGAGDPVDGVWDSTEWFPLSGANAAGDMVSTPRDIVKFLNALFDG
RILDQKRLWEMKDNIKPAFFPGSNTVANGHGLLLMRYGSSELKGHLGQIP
GHTSIMGRDEETGAALMLIQNSGAGDFESFYLKGVNEPVDRVLEAIKNS
Ligand information
Ligand IDDPN
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
InChIKeyCOLNVLDHVKWLRT-MRVPVSSYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)C[C@H](C(=O)O)N
CACTVS 3.370N[CH](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.6c1ccc(cc1)CC(C(=O)O)N
ACDLabs 12.01O=C(O)C(N)Cc1ccccc1
CACTVS 3.370N[C@H](Cc1ccccc1)C(O)=O
FormulaC9 H11 N O2
NameD-PHENYLALANINE
ChEMBLCHEMBL379630
DrugBankDB02556
ZINCZINC000000001927
PDB chain2dns Chain E Residue 1060 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2dns Crystal Structure and Functional Characterization of a D-Stereospecific Amino Acid Amidase from Ochrobactrum anthropi SV3, a New Member of the Penicillin-recognizing Proteins
Resolution2.4 Å
Binding residue
(original residue number in PDB)		S60 E114 G309 Q310
Binding residue
(residue number reindexed from 1)		S57 E111 G297 Q298
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) S60 K63 D112 E114 I120 Y149 S150 V155 S218 G313
Catalytic site (residue number reindexed from 1) S57 K60 D109 E111 I117 Y146 S147 V152 S206 G301
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008233 peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:2dns, PDBe:2dns, PDBj:2dns
PDBsum2dns
PubMed17331533
UniProtQ9LCC8

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