Structure of PDB 6akx Chain B Binding Site BS01

Receptor Information
>6akx Chain B (length=344) Species: 1501,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINYKRLKSMTDIYLLN
LAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIIL
LTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPNIIFTRSQK
EGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTL
LRMKKYTCTVCGYIYNPEDGDPDNGVNPGTDFKDIPDDWVCPLCGVGKDQ
FEEVEEEKKRHRDVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCS
SSNRLDQAMQVTETLGMTHCCINPIIYAFVGEEFRNYLLVFFQK
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 chain6akx Chain B Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6akx Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C1006 C1009 C1039 C1042
Binding residue
(residue number reindexed from 1)		C208 C211 C241 C244
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004950 chemokine receptor activity
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0016493 C-C chemokine receptor activity
GO:0046872 metal ion binding
Biological Process
GO:0006935 chemotaxis
GO:0006954 inflammatory response
GO:0006955 immune response
GO:0007186 G protein-coupled receptor signaling pathway
GO:0043448 alkane catabolic process
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6akx, PDBe:6akx, PDBj:6akx
PDBsum6akx
PubMed30234300
UniProtP00268|RUBR_CLOPA Rubredoxin;
P51681

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