Structure of PDB 6nm7 Chain B Binding Site BS01

Receptor Information
>6nm7 Chain B (length=126) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQF
VHGEEDLKTQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMIS
YGGADYKRITVKVNAPYAAALEHHHH
Ligand information
Ligand ID22L
InChIInChI=1S/C12H8N2OS/c15-11-10-9(8-4-2-1-3-5-8)6-16-12(10)14-7-13-11/h1-7H,(H,13,14,15)
InChIKeyOLGMRBGIXZANNV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C2NC=Nc1scc(c12)c3ccccc3
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2csc3c2C(=O)NC=N3
CACTVS 3.385O=C1NC=Nc2scc(c3ccccc3)c12
FormulaC12 H8 N2 O S
Name5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
ChEMBLCHEMBL1369722
DrugBank
ZINCZINC000008578704
PDB chain6nm7 Chain B Residue 201 [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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PDB6nm7 Fragment-based screening of programmed death ligand 1 (PD-L1).
Resolution2.426 Å
Binding residue
(original residue number in PDB)		Y56 M115 A121 D122
Binding residue
(residue number reindexed from 1)		Y39 M98 A104 D105
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6nm7, PDBe:6nm7, PDBj:6nm7
PDBsum6nm7
PubMed30728114
UniProtQ9NZQ7|PD1L1_HUMAN Programmed cell death 1 ligand 1 (Gene Name=CD274)

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