Structure of PDB 6det Chain A Binding Site BS01

Receptor Information
>6det Chain A (length=243) Species: 69710 (Treponema vincentii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEDPSWSKVQVKSALVIGVSDFVPILSFRNEKNEIVGYDIDIFTELCRRL
GIHPIFYPIQWAQKEILLNTGVIDCIASGFSVTEERKQHYRMCTPYLQNA
KIVVTLAGRGYQTLAQLQNRTIAVEADTAGDEALLNVEALKDHVIIKAMA
TIDQLYEALDSGTCDAIVVDLIYSLDTLDKNPQYSIINEAISTEYYTFAF
RQADASLVAKIESVLAEMNEDETIPNFSRKWFGSNLSILNVRF
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 chain6det Chain A Residue 500 [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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PDB6det Biophysical insights into a highly selective l-arginine-binding lipoprotein of a pathogenic treponeme.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		S29 V32 W70 S87 G88 F89 S90 R95 E134 T137 D179 Y182
Binding residue
(residue number reindexed from 1)		S20 V23 W61 S78 G79 F80 S81 R86 E125 T128 D170 Y173
Annotation score4
Binding affinityMOAD: Kd=0.006uM
PDBbind-CN: -logKd/Ki=8.22,Kd=6nM
Enzymatic activity
Enzyme Commision number ?
External links