Structure of PDB 6umt Chain A Binding Site BS01

Receptor Information
>6umt Chain A (length=109) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPPTFSPALLVVTEGDSATFTCSFSSTSESFVLNWYRMSPSGQPDKLAAF
PESRFRVTQLPNGRDFHMSVVRARRDDSGTYLCGAISLAPKVQIKESLRA
ELRVTERRA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6umt Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6umt A high-affinity human PD-1/PD-L2 complex informs avenues for small-molecule immune checkpoint drug discovery.
Resolution1.986 Å
Binding residue
(original residue number in PDB)		E46 E146
Binding residue
(residue number reindexed from 1)		E14 E106
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0050777 negative regulation of immune response
Cellular Component
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:6umt, PDBe:6umt, PDBj:6umt
PDBsum6umt
PubMed31727844
UniProtQ15116|PDCD1_HUMAN Programmed cell death protein 1 (Gene Name=PDCD1)

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