Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP
Download all results in tab-seperated text for 41 receptor-ligand interactions, whose format is explained at readme.txt.
  • Hover over PDB to view the title of the structure. Click PDB to view the structure at the RCSB PDB database. Resolution -1.00 means the resolution is unavailable, e.g., for NMR structures.
  • Click Site # to view the binding site structure. Hover over Site # to view the binding residues.
  • Hover over Ligand to view the full ligand name. Click Ligand to view the 2D diagram and other detail information of the ligand.
  • Hover over EC number to view the full name of enzymatic activity.
  • Hover over GO terms to view all GO terms.
  • Hover over UniProt to view the protein name.
  • Sort results by
    << < 1 > >>
    Go to page

    # PDB
    (Resolution Å)
    Site # Ligand EC number GO terms UniProt PubMed Binding
    affinity
    1 1fyf:A (1.65) BS02 SSA 6.1.1.3 GO:0000166 ... P0A8M3 11136973
    2 1fyf:B (1.65) BS02 SSA 6.1.1.3 GO:0000166 ... P0A8M3 11136973
    3 1set:A (2.55) BS01 SSA 6.1.1.11 GO:0000049 ... P34945 8128224
    4 1set:B (2.55) BS01 SSA 6.1.1.11 GO:0000049 ... P34945 8128224
    5 1tkg:A (1.5) BS01 SSA 6.1.1.3 GO:0000166 ... P0A8M3 15525511
    6 2cj9:A (2.3) BS02 SSA 6.1.1.11 GO:0000166 ... Q46AN5 16675947
    7 2cj9:B (2.3) BS02 SSA 6.1.1.11 GO:0000166 ... Q46AN5 16675947
    8 2dq0:A (2.6) BS04 SSA 6.1.1.11 GO:0000049 ... O58441 18818520
    9 2dq0:B (2.6) BS04 SSA 6.1.1.11 GO:0000049 ... O58441 18818520
    10 2dq3:A (3.0) BS01 SSA 6.1.1.11 GO:0000166 ... O66647 N/A
    11 2dq3:B (3.0) BS01 SSA 6.1.1.11 GO:0000166 ... O66647 N/A
    12 2hl2:A (2.6) BS01 SSA 6.1.1.3 GO:0004829 ... Q9UZ14 16902403
    13 2hl2:B (2.6) BS01 SSA 6.1.1.3 GO:0004829 ... Q9UZ14 16902403
    14 3hxw:A (1.93) BS01 SSA 6.1.1.7 GO:0000166 ... P00957 20010690
    15 3hy1:A (2.79) BS01 SSA 6.1.1.7 GO:0000166 ... P00957 20010690
    16 3qo8:A (2.0) BS01 SSA 6.1.1.11 GO:0000166 ... Q9HGT6 21825144
    17 3qo8:A (2.0) BS03 SSA 6.1.1.11 GO:0000166 ... Q9HGT6 21825144
    18 3w3s:A (3.095) BS03 SSA 6.1.1.11 GO:0000166 ... Q8TVD2 23649835
    19 4eo4:A (2.87) BS01 SSA 6.1.1.3 GO:0000166 ... P07236 22773845 PDBbind: -logKd/Ki=6.35, Ki=450nM
    20 4eo4:A (2.87) BS02 SSA 6.1.1.3 GO:0000166 ... P07236 22773845 PDBbind: -logKd/Ki=6.35, Ki=450nM
    21 4eo4:B (2.87) BS01 SSA 6.1.1.3 GO:0000166 ... P07236 22773845
    22 4eo4:B (2.87) BS02 SSA 6.1.1.3 GO:0000166 ... P07236 22773845
    23 4eo4:C (2.87) BS01 SSA 6.1.1.3 GO:0000166 ... P07236 22773845
    24 4eo4:C (2.87) BS02 SSA 6.1.1.3 GO:0000166 ... P07236 22773845
    25 4eo4:D (2.87) BS01 SSA 6.1.1.3 GO:0000166 ... P07236 22773845
    26 4eo4:D (2.87) BS02 SSA 6.1.1.3 GO:0000166 ... P07236 22773845
    27 4l87:A (2.897) BS01 SSA 6.1.1.11 GO:0000049 ... P49591 24095058 BindingDB: IC50=2170nM
    28 6h9x:A (2.1) BS01 SSA 6.1.1.11 GO:0000166 ... W9BNU9 31048140 PDBbind: -logKd/Ki=9.74, Ki=0.18nM
    29 6ote:A (2.95) BS01 SSA 6.1.1.11 GO:0000049 ... Q5CVB3 N/A
    30 6r1m:A (1.5) BS01 SSA 6.1.1.11 GO:0000166 ... P0A8L1 31626547 MOAD: ic50=0.21uM
    BindingDB: IC50=210nM, Kd=1.3nM, Ki=0.180000nM
    31 6r1m:B (1.5) BS01 SSA 6.1.1.11 GO:0000166 ... P0A8L1 31626547 MOAD: ic50=0.21uM
    BindingDB: IC50=210nM, Kd=1.3nM, Ki=0.180000nM
    32 6r1n:A (2.03) BS01 SSA 6.1.1.11 GO:0000166 ... P95689 31626547 MOAD: ic50=0.23uM
    BindingDB: IC50=230nM
    33 6x94:A (1.45) BS01 SSA 6.1.1.11 GO:0000166 ... Q8PYJ6 33069069
    34 7tzb:A (2.95) BS01 SSA 6.1.1.11 GO:0000049 ... Q9NP81 36042193
    35 7tzb:B (2.95) BS01 SSA 6.1.1.11 GO:0000049 ... Q9NP81 36042193
    36 7u2a:A (4.1) BS02 SSA 6.1.1.11 GO:0000049 ... Q9NP81 36042193
    37 7u2a:B (4.1) BS02 SSA 6.1.1.11 GO:0000049 ... Q9NP81 36042193
    38 7u2b:A (4.1) BS02 SSA 6.1.1.11 GO:0000049 ... Q9NP81 36042193
    39 7u2b:B (4.1) BS02 SSA 6.1.1.11 GO:0000049 ... Q9NP81 36042193
    40 8ffy:A (3.6) BS02 SSA 6.1.1.11 GO:0000049 ... Q9NP81 37558671
    41 8ffy:B (3.6) BS02 SSA 6.1.1.11 GO:0000049 ... Q9NP81 37558671

    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).
  • zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417