Ligand: NHE

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGout BBAminus 1 100.0% 6P7GB
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
TKL BRAF BRAF_HUMAN 6P7GB P15056 449 721 766.0 E7M:801,NHE:802 Type2,Allosteric Inactive DFGout 12.2125 11.6073 BBAminus -161.83, -162.67 -128.78, 90.51 -86.35, -51.52 303.99, 97.12 26.26, 73.75 in-in in 8.2498 Saltbr-in 2.5356 HRD-in -62.65, -53.67 83.64, -15.67 in-out-out SNCioo out-out ActLoopNT-out 21.2346 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iooo APE10-dihe-na -80.82, -17.55 APE9-dihe-na -132.56, -84.95 APE8-dihe-out -42.28, -25.63 APE8-rot-in 319.56 APE67-dihe-in -73.22, -25.37 -56.64, -24.48 APE12-dist-in 12.5812 APE11-dist-out 14.2289 APE10-dist-out 10.095 APE9-dist-out 10.7758 I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 2.65 0.249 0.279 B 297.0 273.0 0 30 30 0 [[457, 716]] 1.0 6p7g TKL_BRAF_HUMAN TKL 5.8e-84 287.7 4.0 267.0 264.0 593 594 595 597 599 483 501 505 573 575 574 576.0 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf

Ligand: NHE

Total number of chains: 2
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBminus 1 50.0% 3OROA
DFGout BBAminus 1 50.0% 6P7GB
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
TKL BRAF BRAF_HUMAN 6P7GB P15056 449 721 766.0 E7M:801,NHE:802 Type2,Allosteric Inactive DFGout 12.2125 11.6073 BBAminus -161.83, -162.67 -128.78, 90.51 -86.35, -51.52 303.99, 97.12 26.26, 73.75 in-in in 8.2498 Saltbr-in 2.5356 HRD-in -62.65, -53.67 83.64, -15.67 in-out-out SNCioo out-out ActLoopNT-out 21.2346 ActLoopCT-out nonTYR APEdihe_aaoii APEdist_iooo APE10-dihe-na -80.82, -17.55 APE9-dihe-na -132.56, -84.95 APE8-dihe-out -42.28, -25.63 APE8-rot-in 319.56 APE67-dihe-in -73.22, -25.37 -56.64, -24.48 APE12-dist-in 12.5812 APE11-dist-out 14.2289 APE10-dist-out 10.095 APE9-dist-out 10.7758 I543A,I544S,I551K,Q562R,L588N,V600E,K630S,F667E,Y673S,A688R,L706S,Q709R,S713E,L716E,S720E,P722S,K723G None None XRAY 2.65 0.249 0.279 B 297.0 273.0 0 30 30 0 [[457, 716]] 1.0 6p7g Homo sapiens TKL_BRAF_HUMAN TKL 5.8e-84 287.7 4.0 267.0 264.0 593 594 595 597 599 483 501 505 573 575 574 576.0 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
OTHER PKNB PKNB_MYCTU 3OROA P9WI81 9 288 626.0 AGS:340,NHE:334 ATPlike,Allosteric Inactive DFGin 10.2106 16.6484 BLBminus -142.42, 175.63 58.47, 51.52 -57.61, 135.34 282.11, 75.26 -78.81, -175.89 in-out in 9.5426 Saltbr-out 5.714 HRD-in -71.12, -53.37 79.93, -22.3 out-out-out SNCooo out-out ActLoopNT-out 9.3799 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oioo APE10-dihe-na -107.94, 121.64 APE9-dihe-na -97.08, -109.8 APE8-dihe-out -73.61, -18.41 APE8-rot-out 64.36 APE67-dihe-out -62.49, -21.46 68.3, 11.35 APE12-dist-out 14.3538 APE11-dist-in 10.2286 APE10-dist-out 14.2027 APE9-dist-out 11.3785 L33D None None XRAY 1.9 0.195 0.228 A 311.0 272.0 8 31 23 8 [[11, 273]] 1.0 3oro Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 2.7e-46 164.0 1.0 248.0 248.0 155 156 157 159 161 40 59 63 135 137 136 138.0 198 186 181 180 179 178 177 176 175 93 Serine/threonine-protein kinase PknB

Ligand: NHE

Total number of chains: 1
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLBminus 1 100.0% 3OROA
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
OTHER PKNB PKNB_MYCTU 3OROA P9WI81 9 288 626.0 AGS:340,NHE:334 ATPlike,Allosteric Inactive DFGin 10.2106 16.6484 BLBminus -142.42, 175.63 58.47, 51.52 -57.61, 135.34 282.11, 75.26 -78.81, -175.89 in-out in 9.5426 Saltbr-out 5.714 HRD-in -71.12, -53.37 79.93, -22.3 out-out-out SNCooo out-out ActLoopNT-out 9.3799 ActLoopCT-out nonTYR APEdihe_aaooo APEdist_oioo APE10-dihe-na -107.94, 121.64 APE9-dihe-na -97.08, -109.8 APE8-dihe-out -73.61, -18.41 APE8-rot-out 64.36 APE67-dihe-out -62.49, -21.46 68.3, 11.35 APE12-dist-out 14.3538 APE11-dist-in 10.2286 APE10-dist-out 14.2027 APE9-dist-out 11.3785 L33D None None XRAY 1.9 0.195 0.228 A 311.0 272.0 8 31 23 8 [[11, 273]] 1.0 3oro Mycobacterium tuberculosis OTHER_PKNB_MYCTU CAMK 2.7e-46 164.0 1.0 248.0 248.0 155 156 157 159 161 40 59 63 135 137 136 138.0 198 186 181 180 179 178 177 176 175 93 Serine/threonine-protein kinase PknB