Structure of PDB 5na7 Chain A Binding Site BS01

Receptor Information
>5na7 Chain A (length=647) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FDYTVEQFADLQILRYKVPEFETLTLKQKELVYYLTQAALEGRDILFDQN
GKYNLRIRRMLEAVYTNYKGDKSAPDFKNMEVYLKRVWFSNGIHHHYGME
KFVPGFSQDFLKQAVLGTDAQLLPLSEGQTAEQLCDELFPVMFDPAILAK
RVNQADGEDLVLTSACNYYDGVTQQEAESFYGAMKDPKDETPVSYGLNSR
LVKEKIQEKVWKVGGLYTQAIEKIVYWLKKAETVAENDAQKAVISKLIQF
YETGSLKDFDEYAILWVKDLDSRIDFVNGFTESYGDPLGVKASWESLVNF
KDLDATHRTEIISSNAQWFEDHSPVDKSFKKEKVKAKVITAAILAGDLYP
ATAIGINLPNANWIRAHHGSKSVTIGNITDAYNKAAHGNGFNEEFVCNDE
ERQRIDQYGDLTGELHTDLHECLGHGSGKLLPGVDPDALKAYGSTIEEAR
ADLFGLYYVADPKLVELKLVPDAEAYKAEYYTFLMNGLMTQLVRIEPGNN
IEEAHMRNRQLIARWVFEKGAPDKVVEMVKKDGKTYVVVNDYEKVRQLFG
ELLAEIQRIKSTGDFEGARTLVENYAVKVDPALHAEVLARYKKLNLAPYK
GFINPVYELVTDKDGNITDVTVSYNEDYVEQMLRYSKDYSPLPSVNN
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5na7 Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5na7 Crystal structure of dipeptidyl peptidase III from the human gut symbiont Bacteroides thetaiotaomicron.
Resolution2.401 Å
Binding residue
(original residue number in PDB)		H448 H453 E476
Binding residue
(residue number reindexed from 1)		H420 H425 E448
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.14.4: dipeptidyl-peptidase III.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5na7, PDBe:5na7, PDBj:5na7
PDBsum5na7
PubMed29095893
UniProtQ8A6N1

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