Ligand: LQQ (Palbociclib)

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 2EUFB
DFGin BLBplus 1 50.0% 5L2IA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ		 DFG-Asp
φ,ψ		 DFG-Phe
φ,ψ		 DFG-Phe
χ1,χ2		 DFG-Gly
φ,ψ		 ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
CMGC CDK6 CDK6_HUMAN 2EUFB Q00534 10 305 326.0 LQQ:401 Type1 Inactive DFGin 6.7421 15.1128 BLAminus -125.92, -175.17 38.68, 92.34 -97.81, 21.98 278.38, 80.53 -77.62, -1.18 in-in in 9.2559 Saltbr-in 2.9491 HRD-out -101.19, 86.94 -86.95, 32.9 in-in-in SNCiii in-in ActLoopNT-in 3.1126 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -148.02, 158.17 APE9-dihe-na 54.99, 142.49 APE8-dihe-in -69.93, 155.33 APE8-rot-in 306.39 APE67-dihe-in -58.36, -34.39 -40.4, -57.67 APE12-dist-in 13.9648 APE11-dist-in 10.6817 APE10-dist-in 7.3314 APE9-dist-in 3.405 None None None XRAY 3.0 0.233 0.306 B 308.0 282.0 14 27 27 0 [[13, 300]] 1.0 2euf CMGC_CDK6_HUMAN CMGC 1.8e-84 290.5 1.0 301.0 301.0 162 163 164 166 168 43 61 65 142 144 143 145.0 201 189 184 183 182 181 180 179 178 99 Cyclin-dependent kinase 6
CMGC CDK6 CDK6_HUMAN 5L2IA Q00534 10 301 326.0 LQQ:900 Type1 Inactive DFGin 7.4124 14.4568 BLBplus -139.28, -177.12 58.29, 50.79 -135.47, 155.77 57.98, 89.15 79.14, 67.19 out-out out 13.9484 Saltbr-out 9.6253 HRD-in -64.06, -51.87 80.46, -27.68 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -148.65 APE8-dihe-in -110.64, 110.6 APE8-rot-in 294.84 APE67-dihe-in -51.14, -31.66 -93.52, -5.06 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.2232 None None None XRAY 2.75 0.235 0.304 A 307.0 260.0 32 27 13 14 [[13, 300]] 1.0 5l2i CMGC_CDK6_HUMAN CMGC 1.8e-84 290.5 1.0 301.0 301.0 162 163 164 166 168 43 61 65 142 144 143 145.0 201 189 184 183 182 181 180 179 178 99 Cyclin-dependent kinase 6

Ligand: LQQ (Palbociclib)

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 50.0% 2EUFB
DFGin BLBplus 1 50.0% 5L2IA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ		 DFG-Asp
φ,ψ		 DFG-Phe
φ,ψ		 DFG-Phe
χ1,χ2		 DFG-Gly
φ,ψ		 ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Species Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name
CMGC CDK6 CDK6_HUMAN 2EUFB Q00534 10 305 326.0 LQQ:401 Type1 Inactive DFGin 6.7421 15.1128 BLAminus -125.92, -175.17 38.68, 92.34 -97.81, 21.98 278.38, 80.53 -77.62, -1.18 in-in in 9.2559 Saltbr-in 2.9491 HRD-out -101.19, 86.94 -86.95, 32.9 in-in-in SNCiii in-in ActLoopNT-in 3.1126 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -148.02, 158.17 APE9-dihe-na 54.99, 142.49 APE8-dihe-in -69.93, 155.33 APE8-rot-in 306.39 APE67-dihe-in -58.36, -34.39 -40.4, -57.67 APE12-dist-in 13.9648 APE11-dist-in 10.6817 APE10-dist-in 7.3314 APE9-dist-in 3.405 None None None XRAY 3.0 0.233 0.306 B 308.0 282.0 14 27 27 0 [[13, 300]] 1.0 2euf Homo sapiens CMGC_CDK6_HUMAN CMGC 1.8e-84 290.5 1.0 301.0 301.0 162 163 164 166 168 43 61 65 142 144 143 145.0 201 189 184 183 182 181 180 179 178 99 Cyclin-dependent kinase 6
CMGC CDK6 CDK6_HUMAN 5L2IA Q00534 10 301 326.0 LQQ:900 Type1 Inactive DFGin 7.4124 14.4568 BLBplus -139.28, -177.12 58.29, 50.79 -135.47, 155.77 57.98, 89.15 79.14, 67.19 out-out out 13.9484 Saltbr-out 9.6253 HRD-in -64.06, -51.87 80.46, -27.68 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaiii APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -148.65 APE8-dihe-in -110.64, 110.6 APE8-rot-in 294.84 APE67-dihe-in -51.14, -31.66 -93.52, -5.06 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 11.2232 None None None XRAY 2.75 0.235 0.304 A 307.0 260.0 32 27 13 14 [[13, 300]] 1.0 5l2i Homo sapiens CMGC_CDK6_HUMAN CMGC 1.8e-84 290.5 1.0 301.0 301.0 162 163 164 166 168 43 61 65 142 144 143 145.0 201 189 184 183 182 181 180 179 178 99 Cyclin-dependent kinase 6

Ligand: LQQ (Palbociclib)

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Hover over column headers for tooltip help.

Group Gene SwissprotID PDB UniprotID First_obs_res Last_obs_res Length_Unp Ligand Ligand_type Activity_label Spatial_label Phe_Glu4_dis Phe_Lys_dis Dihedral_label XDFG
φ,ψ		 DFG-Asp
φ,ψ		 DFG-Phe
φ,ψ		 DFG-Phe
χ1,χ2		 DFG-Gly
φ,ψ		 ChelixSaltbr_label Chelix_label Lys_Glu_dis Saltbr_label LysNZ_GluOE_dis HRD_label His φ,ψ Arg φ,ψ SNC_label SNCpymol_label ActLoop_label ActLoopNT_label DFG6_XHRD_dis ActLoopCT_label APEtype APEdihe_label APEdist_label APE10_dihe_label APE10 φ,ψ APE9_dihe_label APE9 φ,ψ APE8_dihe_label APE8 φ,ψ APE8_rotamer_label APE8 χ1 APE67_label APE6 φ,ψ APE7 φ,ψ APE12_dist_label APE12_DFG4_dis APE11_dist_label APE11_DFG4_dis APE10_dist_label APE10_DFG4_dis APE9_dist_label APE9_Arg_dis Chain_mut Chain_phos Modified_aa Method Resolution Rvalue FreeRvalue Chain_id ChainLen Ordered_residues DomainBreak ActLoopLength ActLoopResolvedResidues ActLoopDisorderedResidues Kinase_domains_Unp N_Kinase_domains_Unp pdb Species Kincore_name hmm Evalue Score hmmbeg hmmend hmmlen XDFGnum DFGnum PHEnum DFG4num DFG6num LYSnum GLUnum GLU4num XHRDnum ARGnum HRDnum HRDaspnum aFaspnum APEnum APE6num APE7num APE8num APE9num APE10num APE11num APE12num Hinge1num Protein_name