Structure of PDB 3tql Chain A Binding Site BS01

Receptor Information
>3tql Chain A (length=225) Species: 777 (Coxiella burnetii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDTIKFATEATYPPYVYMGGQVEGFGADIVKAVCKQMQAVCTISNQPWDS
LIPSLKLGKFDALFGGMNITTARQKEVDFTDPYYTNSVSFIADKNTPLTL
SKQGLKGKIIGVQGGTTFDSYLQDSFGNSITIQRYPSEEDALMDLTSGRV
DAVVGDTPLIKQWLKQNGRREYVLIGKPVNDPNYFGKGVGIAVKKGNQAL
LLKLNKALAAIKANGVYAAIVQKYF
Ligand information
Ligand IDARG
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[C@@H](CCCNC(N)=[NH2+])C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameARGININE
ChEMBL
DrugBank
ZINC
PDB chain3tql Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tql Structural genomics for drug design against the pathogen Coxiella burnetii.
Resolution1.594 Å
Binding residue
(original residue number in PDB)		E48 Y51 W89 G106 G107 N109 R114 S130
Binding residue
(residue number reindexed from 1)		E9 Y12 W48 G65 G66 N68 R73 S89
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015276 ligand-gated monoatomic ion channel activity
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:3tql, PDBe:3tql, PDBj:3tql
PDBsum3tql
PubMed26033498
UniProtQ83E49

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