Ligand: BI9

Total number of chains: 1
Active chains: 1
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 1 100.0% 6BQLA
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
CAMK CAMKK2 KKCC2_HUMAN 6BQLA Q96RR4 161 448 588.0 BI9:60501 Type1 Active DFGin 6.7753 15.905 BLAminus -125.08, 172.02 71.12, 81.11 -96.1, 13.43 287.91, 80.94 -58.33, -35.96 in-in in 9.654 Saltbr-in 3.5358 HRD-in -69.05, -49.88 71.03, 0.77 in-in-in SNCiii in-in ActLoopNT-in 2.7583 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.45, 168.13 APE9-dihe-na 102.75, -153.47 APE8-dihe-in -100.87, 121.4 APE8-rot-in 299.55 APE67-dihe-in -62.51, -19.42 -46.16, -47.04 APE12-dist-in 9.5007 APE11-dist-in 11.2374 APE10-dist-in 5.3459 APE9-dist-in 3.607 None None None XRAY 2.0 0.189 0.225 A 291.0 276.0 12 28 28 0 [[165, 446]] 1.0 6bql CAMK_CAMKK2_HUMAN CAMK 1.2e-73 253.6 1.0 256.0 256.0 329 330 331 333 335 194 236 240 309 311 310 312.0 372 357 352 351 350 349 348 347 346 268 Calcium/calmodulin-dependent protein kinase kinase 2

Ligand: BI9

Total number of chains: 4
Active chains: 1
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 50.0% 4D58B
DFGin BLAminus 1 25.0% 6BQLA
DFGin None 1 25.0% 2JKKA
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
TYR PTK2 FAK1_CHICK 4D4SB Q00944 415 686 1053.0 BI9:1690 Type1 Inactive DFGin 5.4503 14.6213 ABAminus -111.11, -16.99 -125.52, 154.32 -137.31, 52.23 289.14, 82.0 97.11, -19.33 in-out in 7.7604 Saltbr-out 4.5565 HRD-in -75.76, -49.0 80.94, -1.24 out-out-none SNCoon out-none ActLoopNT-out 13.1006 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 117.21 APE8-dihe-in -84.28, 68.41 APE8-rot-na 35.3 APE67-dihe-in -65.5, -16.9 -56.56, -40.12 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.9645 None None None XRAY 2.0 0.207 0.225 B 276.0 260.0 12 29 17 12 [[422, 678]] 1.0 4d4s Gallus gallus TYR_PTK2_CHICK TYR 1.2e-92 315.8 1.0 260.0 260.0 563 564 565 567 569 454 471 475 543 545 544 546.0 604 592 587 586 585 584 583 582 581 500 Focal adhesion kinase 1
TYR PTK2 FAK1_CHICK 4D58B Q00944 414 686 1053.0 BI9:1690 Type1 Inactive DFGin 5.3425 14.7731 ABAminus -111.98, -14.84 -133.5, 141.08 -122.5, 41.04 291.15, 84.59 117.31, -28.78 in-out in 7.7064 Saltbr-out 4.3676 HRD-in -80.65, -46.47 80.81, -10.05 out-out-out SNCooo out-out ActLoopNT-out 13.0276 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 122.24 APE8-dihe-in -85.92, 64.4 APE8-rot-na 36.67 APE67-dihe-in -68.12, -12.82 -55.14, -41.45 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.2046 None None None XRAY 1.95 0.197 0.228 B 276.0 261.0 12 29 17 12 [[422, 678]] 1.0 4d58 Gallus gallus TYR_PTK2_CHICK TYR 1.2e-92 315.8 1.0 260.0 260.0 563 564 565 567 569 454 471 475 543 545 544 546.0 604 592 587 586 585 584 583 582 581 500 Focal adhesion kinase 1
TYR PTK2 FAK1_CHICK 2JKKA Q00944 413 684 1053.0 BI9:1686 Type1 Inactive DFGin 6.6615 15.9464 None -75.15, -171.72 -62.78, 135.39 -69.82, -36.92 292.96, 7.69 -58.64, -47.49 in-in in 7.4664 Saltbr-in 2.7948 HRD-in -67.23, -54.57 79.75, -14.16 in-out-none SNCion out-none ActLoopNT-out 10.5203 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 129.56 APE8-dihe-in -81.25, 65.87 APE8-rot-na 28.94 APE67-dihe-in -64.8, -17.36 -41.67, -50.35 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.9613 None None None XRAY 2.0 0.182 0.236 A 276.0 258.0 14 29 15 14 [[422, 678]] 1.0 2jkk Gallus gallus TYR_PTK2_CHICK TYR 1.2e-92 315.8 1.0 260.0 260.0 563 564 565 567 569 454 471 475 543 545 544 546.0 604 592 587 586 585 584 583 582 581 500 Focal adhesion kinase 1
CAMK CAMKK2 KKCC2_HUMAN 6BQLA Q96RR4 161 448 588.0 BI9:60501 Type1 Active DFGin 6.7753 15.905 BLAminus -125.08, 172.02 71.12, 81.11 -96.1, 13.43 287.91, 80.94 -58.33, -35.96 in-in in 9.654 Saltbr-in 3.5358 HRD-in -69.05, -49.88 71.03, 0.77 in-in-in SNCiii in-in ActLoopNT-in 2.7583 ActLoopCT-in nonTYR APEdihe_aaiii APEdist_iiii APE10-dihe-na -135.45, 168.13 APE9-dihe-na 102.75, -153.47 APE8-dihe-in -100.87, 121.4 APE8-rot-in 299.55 APE67-dihe-in -62.51, -19.42 -46.16, -47.04 APE12-dist-in 9.5007 APE11-dist-in 11.2374 APE10-dist-in 5.3459 APE9-dist-in 3.607 None None None XRAY 2.0 0.189 0.225 A 291.0 276.0 12 28 28 0 [[165, 446]] 1.0 6bql Homo sapiens CAMK_CAMKK2_HUMAN CAMK 1.2e-73 253.6 1.0 256.0 256.0 329 330 331 333 335 194 236 240 309 311 310 312.0 372 357 352 351 350 349 348 347 346 268 Calcium/calmodulin-dependent protein kinase kinase 2

Ligand: BI9

Total number of chains: 3
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 2 66.7% 4D58B
DFGin None 1 33.3% 2JKKA
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
TYR PTK2 FAK1_CHICK 4D4SB Q00944 415 686 1053.0 BI9:1690 Type1 Inactive DFGin 5.4503 14.6213 ABAminus -111.11, -16.99 -125.52, 154.32 -137.31, 52.23 289.14, 82.0 97.11, -19.33 in-out in 7.7604 Saltbr-out 4.5565 HRD-in -75.76, -49.0 80.94, -1.24 out-out-none SNCoon out-none ActLoopNT-out 13.1006 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 117.21 APE8-dihe-in -84.28, 68.41 APE8-rot-na 35.3 APE67-dihe-in -65.5, -16.9 -56.56, -40.12 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.9645 None None None XRAY 2.0 0.207 0.225 B 276.0 260.0 12 29 17 12 [[422, 678]] 1.0 4d4s Gallus gallus TYR_PTK2_CHICK TYR 1.2e-92 315.8 1.0 260.0 260.0 563 564 565 567 569 454 471 475 543 545 544 546.0 604 592 587 586 585 584 583 582 581 500 Focal adhesion kinase 1
TYR PTK2 FAK1_CHICK 4D58B Q00944 414 686 1053.0 BI9:1690 Type1 Inactive DFGin 5.3425 14.7731 ABAminus -111.98, -14.84 -133.5, 141.08 -122.5, 41.04 291.15, 84.59 117.31, -28.78 in-out in 7.7064 Saltbr-out 4.3676 HRD-in -80.65, -46.47 80.81, -10.05 out-out-out SNCooo out-out ActLoopNT-out 13.0276 ActLoopCT-out TYR APEdihe_nniai APEdist_aaao APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 122.24 APE8-dihe-in -85.92, 64.4 APE8-rot-na 36.67 APE67-dihe-in -68.12, -12.82 -55.14, -41.45 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-out 8.2046 None None None XRAY 1.95 0.197 0.228 B 276.0 261.0 12 29 17 12 [[422, 678]] 1.0 4d58 Gallus gallus TYR_PTK2_CHICK TYR 1.2e-92 315.8 1.0 260.0 260.0 563 564 565 567 569 454 471 475 543 545 544 546.0 604 592 587 586 585 584 583 582 581 500 Focal adhesion kinase 1
TYR PTK2 FAK1_CHICK 2JKKA Q00944 413 684 1053.0 BI9:1686 Type1 Inactive DFGin 6.6615 15.9464 None -75.15, -171.72 -62.78, 135.39 -69.82, -36.92 292.96, 7.69 -58.64, -47.49 in-in in 7.4664 Saltbr-in 2.7948 HRD-in -67.23, -54.57 79.75, -14.16 in-out-none SNCion out-none ActLoopNT-out 10.5203 ActLoopCT-none TYR APEdihe_nniai APEdist_aaai APE10-dihe-none 999.0, 999.0 APE9-dihe-none 999.0, 129.56 APE8-dihe-in -81.25, 65.87 APE8-rot-na 28.94 APE67-dihe-in -64.8, -17.36 -41.67, -50.35 APE12-dist-na 999.0 APE11-dist-na 999.0 APE10-dist-na 999.0 APE9-dist-in 7.9613 None None None XRAY 2.0 0.182 0.236 A 276.0 258.0 14 29 15 14 [[422, 678]] 1.0 2jkk Gallus gallus TYR_PTK2_CHICK TYR 1.2e-92 315.8 1.0 260.0 260.0 563 564 565 567 569 454 471 475 543 545 544 546.0 604 592 587 586 585 584 583 582 581 500 Focal adhesion kinase 1