Structure of PDB 1tkh Chain A Binding Site BS05

Receptor Information
>1tkh Chain A (length=274) Species: 1911 (Streptomyces griseus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APDIPLANVKAHLTQLSTIAANNGGNRAHGRPGYKASVDYVKAKLDAAGY
TTTLQQFTSGGATGYNLIANWPGGDPNKVLMAGAHLDSVSSGAGINDNGS
GSAAVLETALAVSRAGYQPDKHLRFAWWGAEELGLIGSKFYVNNLPSADR
SKLAGYLNFDMIGSPNPGYFVYDDDPVIEKTFKNYFAGLNVPTEIETERS
DHAPFKNVGVPVGGLFTGAGYTKSAAQAQKWGGTAGQAFDRCYHSSCDSL
SNINDTALDRNSDAAAHAIWTLSS
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 chain1tkh Chain A Residue 913 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tkh Interactions of D Amino Acids with Streptomyces griseus Aminopeptidase
Resolution1.25 Å
Binding residue
(original residue number in PDB)		H85 D97 E131 D160 R202 F219 Y246 H247
Binding residue
(residue number reindexed from 1)		H85 D97 E131 D160 R199 F216 Y243 H244
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) N77 D97 E131 E132 D160
Catalytic site (residue number reindexed from 1) N77 D97 E131 E132 D160
Enzyme Commision number 3.4.11.24: aminopeptidase S.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0008235 metalloexopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:1tkh, PDBe:1tkh, PDBj:1tkh
PDBsum1tkh
PubMed
UniProtP80561|APX_STRGG Aminopeptidase S (Gene Name=SGR_5809)

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