Structure of PDB 8hqr Chain A Binding Site BS01

Receptor Information
>8hqr Chain A (length=267) Species: 335992 (Candidatus Pelagibacter ubique HTCC1062) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPRGSHMDKIKIGTEGAYPPWNSKDASGALIGFEVELAEELCKIMGRECT
IVEQDWDGMIPALLMRKFDAIMAGMSITAERQKTITFSQGYADEVAALAV
MKGSSLESMDTPEGINLTLGGSAVKKTLKTLTAALAGKTVCTQTGTIHQN
FLESGDVGKVNVRTYKTQDEVNLDLTSGRCDVALAAAVAFTDYADKSGKP
VVLVGPTFSGGAFGNGVGVGIRQGGDDAIGTRDAKLLKDFNKAINTARKQ
GIISKLAIKHFGFDASM
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 chain8hqr Chain A Residue 301 [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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PDB8hqr Crystal structure of the arginine-/lysine-binding protein SAR11_1210 from 'Candidatus Pelagibacter ubique' HTCC1062 bound to arginine
Resolution1.32 Å
Binding residue
(original residue number in PDB)		E29 Y32 W70 A87 G88 S90 R95 E108 Q157 T160 I161
Binding residue
(residue number reindexed from 1)		E15 Y18 W56 A73 G74 S76 R81 E94 Q143 T146 I147
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links