PDB: 2OZA — 2 kinases

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 2OZAA

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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
CAMK MAPKAPK2 MAPK2_HUMAN 2OZAA P49137 51 390 400.0 No_ligand No_ligand Inactive DFGin 4.5176 14.4709 BLAminus -123.6, 174.75 70.29, 93.68 -101.87, 20.63 281.37, 55.77 -53.13, -26.57 out-in out 10.3858 Saltbr-in 3.4357 HRD-in -72.68, -56.57 75.31, 21.22 in-in-out SNCiio in-out ActLoopNT-in 2.9128 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_oooo APE10-dihe-na -78.43, -27.23 APE9-dihe-na -116.51, 130.73 APE8-dihe-in -149.24, 149.83 APE8-rot-out 53.32 APE67-dihe-out -67.3, -35.95 -56.79, 159.27 APE12-dist-out 27.3464 APE11-dist-out 32.8731 APE10-dist-out 35.564 APE9-dist-out 32.631 None None None XRAY 2.7 0.239 0.296 A 356.0 332.0 8 27 27 0 [[63, 325]] 1.0 2oza CAMK_MAPKAPK2_HUMAN CAMK 4.7e-80 274.8 3.0 256.0 254.0 206 207 208 210 212 93 104 108 183 185 184 186.0 245 233 228 227 226 225 224 223 222 139 MAP kinase-activated protein kinase 2

PDB: 2OZA — 2 kinases

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 2OZAA

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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
CAMK MAPKAPK2 MAPK2_HUMAN 2OZAA P49137 51 390 400.0 No_ligand No_ligand Inactive DFGin 4.5176 14.4709 BLAminus -123.6, 174.75 70.29, 93.68 -101.87, 20.63 281.37, 55.77 -53.13, -26.57 out-in out 10.3858 Saltbr-in 3.4357 HRD-in -72.68, -56.57 75.31, 21.22 in-in-out SNCiio in-out ActLoopNT-in 2.9128 ActLoopCT-out nonTYR APEdihe_aaioo APEdist_oooo APE10-dihe-na -78.43, -27.23 APE9-dihe-na -116.51, 130.73 APE8-dihe-in -149.24, 149.83 APE8-rot-out 53.32 APE67-dihe-out -67.3, -35.95 -56.79, 159.27 APE12-dist-out 27.3464 APE11-dist-out 32.8731 APE10-dist-out 35.564 APE9-dist-out 32.631 None None None XRAY 2.7 0.239 0.296 A 356.0 332.0 8 27 27 0 [[63, 325]] 1.0 2oza Homo sapiens CAMK_MAPKAPK2_HUMAN CAMK 4.7e-80 274.8 3.0 256.0 254.0 206 207 208 210 212 93 104 108 183 185 184 186.0 245 233 228 227 226 225 224 223 222 139 MAP kinase-activated protein kinase 2
CMGC MAPK14 MK14_MOUSE 2OZAB P47811 6 353 360.0 No_ligand No_ligand Inactive DFGin 7.7822 16.0068 BLAminus -118.23, 171.93 54.76, 85.27 -98.04, -31.59 288.8, 55.22 -31.15, 9.05 out-out out 11.0093 Saltbr-out 5.161 HRD-in -57.49, -58.06 98.2, -27.56 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -133.01, 138.56 APE9-dihe-na -87.21, -22.73 APE8-dihe-in -156.9, 157.2 APE8-rot-out 72.26 APE67-dihe-in -61.42, -8.66 -124.37, 38.47 APE12-dist-in 9.3621 APE11-dist-in 12.6039 APE10-dist-out 10.1881 APE9-dist-out 12.9814 None None None XRAY 2.7 0.239 0.296 B 366.0 340.0 8 25 17 8 [[24, 308]] 1.0 2oza Mus musculus CMGC_MAPK14_MOUSE CMGC 2.1e-85 292.7 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14

PDB: 2OZA — 2 kinases

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 2OZAB

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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 MAPK14 MK14_MOUSE 2OZAB P47811 6 353 360.0 No_ligand No_ligand Inactive DFGin 7.7822 16.0068 BLAminus -118.23, 171.93 54.76, 85.27 -98.04, -31.59 288.8, 55.22 -31.15, 9.05 out-out out 11.0093 Saltbr-out 5.161 HRD-in -57.49, -58.06 98.2, -27.56 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iioo APE10-dihe-na -133.01, 138.56 APE9-dihe-na -87.21, -22.73 APE8-dihe-in -156.9, 157.2 APE8-rot-out 72.26 APE67-dihe-in -61.42, -8.66 -124.37, 38.47 APE12-dist-in 9.3621 APE11-dist-in 12.6039 APE10-dist-out 10.1881 APE9-dist-out 12.9814 None None None XRAY 2.7 0.239 0.296 B 366.0 340.0 8 25 17 8 [[24, 308]] 1.0 2oza Mus musculus CMGC_MAPK14_MOUSE CMGC 2.1e-85 292.7 1.0 301.0 301.0 167 168 169 171 173 53 71 75 147 149 148 150.0 205 192 187 186 185 184 183 182 181 107 Mitogen-activated protein kinase 14