Ligand: 107

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 1FVVA
DFGin None 1 25.0% 7VTOB
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 CDK2 CDK2_HUMAN 1FVVA P24941 1 298 298.0 107:501 Type1 Inactive DFGin 6.6581 14.9006 BLAminus -137.65, 171.94 57.98, 81.02 -95.75, 36.92 284.57, 57.51 -69.65, -41.19 in-in in 8.0481 Saltbr-in 2.8702 HRD-in -77.21, -53.67 74.56, -7.57 in-in-out SNCiio in-out ActLoopNT-in 2.7112 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -111.03, -46.72 APE9-dihe-na -50.79, 166.23 APE8-dihe-in -64.52, 158.74 APE8-rot-out 198.27 APE67-dihe-in -53.47, -26.59 -84.97, -53.54 APE12-dist-in 13.4443 APE11-dist-in 12.4053 APE10-dist-in 7.0412 APE9-dist-in 4.4941 None None None XRAY 2.8 0.21 0.26 A 298.0 298.0 0 28 28 0 [[4, 286]] 1.0 1fvv CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 1FVVC P24941 1 298 298.0 107:601 Type1 Inactive DFGin 6.3614 14.8985 BLAminus -137.03, 174.12 49.53, 89.09 -101.6, 27.15 286.0, 65.52 -55.32, -31.13 in-in in 8.2557 Saltbr-in 2.9582 HRD-in -78.2, -48.22 68.63, -7.2 in-in-out SNCiio in-out ActLoopNT-in 2.8007 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oiii APE10-dihe-na -115.1, -27.85 APE9-dihe-na -49.77, 137.89 APE8-dihe-in -57.38, 118.15 APE8-rot-out 181.94 APE67-dihe-in -55.57, -48.11 -37.79, -50.26 APE12-dist-out 14.0064 APE11-dist-in 12.3664 APE10-dist-in 7.5655 APE9-dist-in 4.3124 None None None XRAY 2.8 0.21 0.26 C 298.0 298.0 0 28 28 0 [[4, 286]] 1.0 1fvv CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
STE PAK1 PAK1_HUMAN 7VTOA Q13153 257 542 545.0 107:601 Type1 Inactive DFGin 5.6953 15.5161 BLAminus -150.06, -169.04 64.25, 76.91 -94.49, 2.41 282.74, 87.53 -51.44, -17.63 out-out out 10.4202 Saltbr-out 4.1052 HRD-in -66.76, -52.58 74.83, -0.29 out-in-in SNCoii in-in ActLoopNT-in 2.8565 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.53, 147.59 APE9-dihe-na 131.15, -166.18 APE8-dihe-in -109.47, 125.5 APE8-rot-in 316.89 APE67-dihe-in -64.02, -24.5 -46.56, -50.85 APE12-dist-in 9.6205 APE11-dist-in 11.8829 APE10-dist-in 6.0296 APE9-dist-in 3.5852 None TPO423 TPO423 XRAY 2.59 0.236 0.252 A 301.0 262.0 16 28 28 0 [[270, 521]] 1.0 7vto STE_PAK1_HUMAN STE 1.7e-94 321.9 1.0 257.0 257.0 406 407 408 410 412 299 315 319 386 388 387 389.0 446 434 429 428 427 426 425 424 423 345 Serine/threonine-protein kinase PAK 1
STE PAK1 PAK1_HUMAN 7VTOB Q13153 255 542 545.0 107:601 Type1 Inactive DFGin 7.5191 14.7279 None -159.98, 174.54 62.98, 54.4 -135.2, 999.0 55.36, 102.9 999.0, 999.0 out-out out 11.3279 Saltbr-out 10.0201 HRD-in -69.73, -51.99 75.23, -8.22 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na -62.21, -39.34 APE9-dihe-na 160.98, -155.85 APE8-dihe-out 82.87, 12.18 APE8-rot-out 62.27 APE67-dihe-in -60.81, -30.13 -80.78, 2.08 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 12.6877 None TPO423 TPO423 XRAY 2.59 0.236 0.252 B 301.0 278.0 10 28 18 10 [[270, 521]] 1.0 7vto STE_PAK1_HUMAN STE 1.7e-94 321.9 1.0 257.0 257.0 406 407 408 410 412 299 315 319 386 388 387 389.0 446 434 429 428 427 426 425 424 423 345 Serine/threonine-protein kinase PAK 1

Ligand: 107

Total number of chains: 4
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 3 75.0% 1FVVA
DFGin None 1 25.0% 7VTOB
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 CDK2 CDK2_HUMAN 1FVVA P24941 1 298 298.0 107:501 Type1 Inactive DFGin 6.6581 14.9006 BLAminus -137.65, 171.94 57.98, 81.02 -95.75, 36.92 284.57, 57.51 -69.65, -41.19 in-in in 8.0481 Saltbr-in 2.8702 HRD-in -77.21, -53.67 74.56, -7.57 in-in-out SNCiio in-out ActLoopNT-in 2.7112 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_iiii APE10-dihe-na -111.03, -46.72 APE9-dihe-na -50.79, 166.23 APE8-dihe-in -64.52, 158.74 APE8-rot-out 198.27 APE67-dihe-in -53.47, -26.59 -84.97, -53.54 APE12-dist-in 13.4443 APE11-dist-in 12.4053 APE10-dist-in 7.0412 APE9-dist-in 4.4941 None None None XRAY 2.8 0.21 0.26 A 298.0 298.0 0 28 28 0 [[4, 286]] 1.0 1fvv Homo sapiens CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
CMGC CDK2 CDK2_HUMAN 1FVVC P24941 1 298 298.0 107:601 Type1 Inactive DFGin 6.3614 14.8985 BLAminus -137.03, 174.12 49.53, 89.09 -101.6, 27.15 286.0, 65.52 -55.32, -31.13 in-in in 8.2557 Saltbr-in 2.9582 HRD-in -78.2, -48.22 68.63, -7.2 in-in-out SNCiio in-out ActLoopNT-in 2.8007 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_oiii APE10-dihe-na -115.1, -27.85 APE9-dihe-na -49.77, 137.89 APE8-dihe-in -57.38, 118.15 APE8-rot-out 181.94 APE67-dihe-in -55.57, -48.11 -37.79, -50.26 APE12-dist-out 14.0064 APE11-dist-in 12.3664 APE10-dist-in 7.5655 APE9-dist-in 4.3124 None None None XRAY 2.8 0.21 0.26 C 298.0 298.0 0 28 28 0 [[4, 286]] 1.0 1fvv Homo sapiens CMGC_CDK2_HUMAN CMGC 6.3e-90 307.9 1.0 301.0 301.0 144 145 146 148 150 33 51 55 124 126 125 127.0 185 172 167 166 165 164 163 162 161 81 Cyclin-dependent kinase 2
STE PAK1 PAK1_HUMAN 7VTOA Q13153 257 542 545.0 107:601 Type1 Inactive DFGin 5.6953 15.5161 BLAminus -150.06, -169.04 64.25, 76.91 -94.49, 2.41 282.74, 87.53 -51.44, -17.63 out-out out 10.4202 Saltbr-out 4.1052 HRD-in -66.76, -52.58 74.83, -0.29 out-in-in SNCoii in-in ActLoopNT-in 2.8565 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -121.53, 147.59 APE9-dihe-na 131.15, -166.18 APE8-dihe-in -109.47, 125.5 APE8-rot-in 316.89 APE67-dihe-in -64.02, -24.5 -46.56, -50.85 APE12-dist-in 9.6205 APE11-dist-in 11.8829 APE10-dist-in 6.0296 APE9-dist-in 3.5852 None TPO423 TPO423 XRAY 2.59 0.236 0.252 A 301.0 262.0 16 28 28 0 [[270, 521]] 1.0 7vto Homo sapiens STE_PAK1_HUMAN STE 1.7e-94 321.9 1.0 257.0 257.0 406 407 408 410 412 299 315 319 386 388 387 389.0 446 434 429 428 427 426 425 424 423 345 Serine/threonine-protein kinase PAK 1
STE PAK1 PAK1_HUMAN 7VTOB Q13153 255 542 545.0 107:601 Type1 Inactive DFGin 7.5191 14.7279 None -159.98, 174.54 62.98, 54.4 -135.2, 999.0 55.36, 102.9 999.0, 999.0 out-out out 11.3279 Saltbr-out 10.0201 HRD-in -69.73, -51.99 75.23, -8.22 out-none-out SNCono none-out ActLoopNT-none 999.0 ActLoopCT-out nonTYR APEdihe_aaooi APEdist_nnno APE10-dihe-na -62.21, -39.34 APE9-dihe-na 160.98, -155.85 APE8-dihe-out 82.87, 12.18 APE8-rot-out 62.27 APE67-dihe-in -60.81, -30.13 -80.78, 2.08 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 12.6877 None TPO423 TPO423 XRAY 2.59 0.236 0.252 B 301.0 278.0 10 28 18 10 [[270, 521]] 1.0 7vto Homo sapiens STE_PAK1_HUMAN STE 1.7e-94 321.9 1.0 257.0 257.0 406 407 408 410 412 299 315 319 386 388 387 389.0 446 434 429 428 427 426 425 424 423 345 Serine/threonine-protein kinase PAK 1

Ligand: 107

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