Structure of PDB 5x49 Chain B Binding Site BS03

Receptor Information
>5x49 Chain B (length=441) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLRPGEVTPGLSQVEYALRRHKLMSLIQKETDQTVVVLSNPTYYMSNDIP
YTFHQDNNFLYLCGFQEPDSILVLQSLPGKQLPSHKAILFVPRRDPSREL
WDGPRSGTDGAIALTGVDEAYTLEEFQHLLPKMKAETNMVWYDWMRPSHA
QLHSDYMQPLTEAKAKSKNKVRGVQQLIQRLRLIKSPAEIERMQIAGKLT
SQAFIETMFTSKAPVEEAFLYAKFEFECRARGADILAYPPVVAGGNRSNT
LHYVKNNQLIKDGEMVLLDGGCESSCYVSDITRTWPVNGRFTAPQAELYE
AVLEIQRDCLALCFPGTSLENIYSMMLTLIGQKLKDLGIMKNIKENNAFK
AARKYCPHHVGHYLGMDVHDTPDMPRSLPLQPGMVITIEPGIYIPEDDKD
APEKFRGLGVRIEDDVVVTQDSPLILSADCPKEMNDIEQIC
Ligand information
Ligand ID01B
InChIInChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m1/s1
InChIKeyLDSJMFGYNFIFRK-BDAKNGLRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC(C(C(=O)O)O)N
ACDLabs 12.01O=C(O)C(O)C(N)Cc1ccccc1
CACTVS 3.370N[CH](Cc1ccccc1)[CH](O)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc(cc1)C[C@H]([C@@H](C(=O)O)O)N
CACTVS 3.370N[C@H](Cc1ccccc1)[C@H](O)C(O)=O
FormulaC10 H13 N O3
Name(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
ChEMBLCHEMBL70899
DrugBank
ZINCZINC000006096602
PDB chain5x49 Chain B Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5x49 Structure of the human aminopeptidase XPNPEP3 and comparison of its in vitro activity with Icp55 orthologs: Insights into diverse cellular processes.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		Y300 V303 D331 D342 H424 H431 E451 E475
Binding residue
(residue number reindexed from 1)		Y238 V241 D269 D280 H362 H369 E389 E413
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D110 H314 D331 D342 H420 H424 H431 E451 Y455 R473 E475
Catalytic site (residue number reindexed from 1) D48 H252 D269 D280 H358 H362 H369 E389 Y393 R411 E413
Enzyme Commision number 3.4.11.9: Xaa-Pro aminopeptidase.
Gene Ontology
Molecular Function
GO:0004177 aminopeptidase activity
GO:0005515 protein binding
GO:0008237 metallopeptidase activity
GO:0030145 manganese ion binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0070006 metalloaminopeptidase activity
Biological Process
GO:0003094 glomerular filtration
GO:0006508 proteolysis
GO:0016485 protein processing
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5x49, PDBe:5x49, PDBj:5x49
PDBsum5x49
PubMed28476889
UniProtQ9NQH7|XPP3_HUMAN Xaa-Pro aminopeptidase 3 (Gene Name=XPNPEP3)

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