Structure of PDB 6mj7 Chain A Binding Site BS03

Receptor Information
>6mj7 Chain A (length=54) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSNMVHPNVICDGCNGPVVGTRYKCSVCPDYDLCSVCEGKGLHRGHTKLA
FPSP
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 chain6mj7 Chain A Residue 204 [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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PDB6mj7 ZZ-dependent regulation of p62/SQSTM1 in autophagy.
Resolution1.412 Å
Binding residue
(original residue number in PDB)		V126 I127 D129 N132 D147 D149
Binding residue
(residue number reindexed from 1)		V9 I10 D12 N15 D30 D32
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=2.82,Kd=1.5mM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:6mj7, PDBe:6mj7, PDBj:6mj7
PDBsum6mj7
PubMed30349045
UniProtQ13501|SQSTM_HUMAN Sequestosome-1 (Gene Name=SQSTM1)

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