Ligand: SM7

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 3PSDB
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 3PSDA P15056 448 723 766.0 SM7:1 Type1 Inactive DFGin 6.8335 14.1496 BLAminus -124.82, -173.12 58.04, 92.45 -113.75, 29.97 285.75, 86.06 -69.4, -23.14 in-in in 8.529 Saltbr-in 2.8551 HRD-in -68.2, -46.27 67.99, 0.3 in-in-out SNCiio in-out ActLoopNT-in 3.0728 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -64.61 APE8-dihe-in -100.67, 127.64 APE8-rot-out 52.84 APE67-dihe-in -68.31, -19.86 -96.93, -21.64 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 8.4214 None None None XRAY 3.6 0.28 0.335 A 307.0 262.0 14 30 16 14 [[457, 716]] 1.0 3psd TKL_BRAF_HUMAN TKL 1.1e-81 280.3 4.0 266.0 263.0 593 594 595 597 599 483 501 505 573 575 574 576.0 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 3PSDB P15056 448 723 766.0 SM7:2 Type1 Inactive DFGin 6.6853 14.1422 BLAminus -119.75, -174.7 61.11, 89.79 -111.04, 26.35 285.59, 87.99 -65.63, -24.51 in-in in 8.6576 Saltbr-in 2.8126 HRD-in -69.49, -46.17 68.55, -0.6 in-in-out SNCiio in-out ActLoopNT-in 3.0776 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nioo APE10-dihe-na -70.44, 155.68 APE9-dihe-na 171.41, -116.26 APE8-dihe-in -82.49, 133.65 APE8-rot-out 55.09 APE67-dihe-in -67.11, -16.33 -104.44, -22.29 APE12-dist-none 999.0 APE11-dist-in 8.0493 APE10-dist-out 11.6901 APE9-dist-out 8.4008 None None None XRAY 3.6 0.28 0.335 B 307.0 264.0 12 30 18 12 [[457, 716]] 1.0 3psd TKL_BRAF_HUMAN TKL 1.1e-81 280.3 4.0 266.0 263.0 593 594 595 597 599 483 501 505 573 575 574 576.0 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf

Ligand: SM7

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 2 100.0% 3PSDB
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 3PSDA P15056 448 723 766.0 SM7:1 Type1 Inactive DFGin 6.8335 14.1496 BLAminus -124.82, -173.12 58.04, 92.45 -113.75, 29.97 285.75, 86.06 -69.4, -23.14 in-in in 8.529 Saltbr-in 2.8551 HRD-in -68.2, -46.27 67.99, 0.3 in-in-out SNCiio in-out ActLoopNT-in 3.0728 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nnno APE10-dihe-na 999.0, 999.0 APE9-dihe-na 999.0, -64.61 APE8-dihe-in -100.67, 127.64 APE8-rot-out 52.84 APE67-dihe-in -68.31, -19.86 -96.93, -21.64 APE12-dist-none 999.0 APE11-dist-none 999.0 APE10-dist-none 999.0 APE9-dist-out 8.4214 None None None XRAY 3.6 0.28 0.335 A 307.0 262.0 14 30 16 14 [[457, 716]] 1.0 3psd Homo sapiens TKL_BRAF_HUMAN TKL 1.1e-81 280.3 4.0 266.0 263.0 593 594 595 597 599 483 501 505 573 575 574 576.0 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 3PSDB P15056 448 723 766.0 SM7:2 Type1 Inactive DFGin 6.6853 14.1422 BLAminus -119.75, -174.7 61.11, 89.79 -111.04, 26.35 285.59, 87.99 -65.63, -24.51 in-in in 8.6576 Saltbr-in 2.8126 HRD-in -69.49, -46.17 68.55, -0.6 in-in-out SNCiio in-out ActLoopNT-in 3.0776 ActLoopCT-out nonTYR APEdihe_aaioi APEdist_nioo APE10-dihe-na -70.44, 155.68 APE9-dihe-na 171.41, -116.26 APE8-dihe-in -82.49, 133.65 APE8-rot-out 55.09 APE67-dihe-in -67.11, -16.33 -104.44, -22.29 APE12-dist-none 999.0 APE11-dist-in 8.0493 APE10-dist-out 11.6901 APE9-dist-out 8.4008 None None None XRAY 3.6 0.28 0.335 B 307.0 264.0 12 30 18 12 [[457, 716]] 1.0 3psd Homo sapiens TKL_BRAF_HUMAN TKL 1.1e-81 280.3 4.0 266.0 263.0 593 594 595 597 599 483 501 505 573 575 574 576.0 638 623 618 617 616 615 614 613 612 530 Serine/threonine-protein kinase B-raf

Ligand: SM7

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