Ligand: 29L

Total number of chains: 8
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 6 75.0% 6U2HD
DFGin None 2 25.0% 8CHFA

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Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein
TKL BRAF BRAF_HUMAN 6U2HC 2.5 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiii APEdist_nnno 29L Type1 448 - 733 0 SEP729 None Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 6U2HD 2.5 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iioo 29L Type1 448 - 733 0 SEP729 None Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 7SHVA 2.88 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_nnio 29L Type1 449 - 721 0 None None Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 4MNFA 2.802 None DFGin‑BLAminus in-in in-none nonTYR APEdihe_aanii APEdist_nnnn 29L Type1 449 - 720 0 None V600E Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 4MNFB 2.802 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aanoi APEdist_nnnn 29L Type1 449 - 720 0 None V600E Serine/threonine-protein kinase B-raf
TKL BRAF BRAF_HUMAN 7SHVB 2.88 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiii APEdist_nnio 29L Type1.5_Back 449 - 721 0 None None Serine/threonine-protein kinase B-raf
TKL RAF1 RAF1_HUMAN 8CHFA 4.25 Inactive DFGin‑None in-out in-out nonTYR APEdihe_aaioi APEdist_iiio 29L Type1 341 - 626 0 SEP621 Y341D RAF proto-oncogene serine/threonine-protein kinase
TKL RAF1 RAF1_HUMAN 8CHFB 4.25 Inactive DFGin‑None in-out in-out nonTYR APEdihe_aaioi APEdist_iiio 29L Type1 341 - 626 0 SEP621 Y341D RAF proto-oncogene serine/threonine-protein kinase

Ligand: 29L

Total number of chains: 8
Active chains: 0
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 6 75.0% 6U2HD
DFGin None 2 25.0% 8CHFA

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Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism
TKL BRAF BRAF_HUMAN 6U2HC 2.5 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiii APEdist_nnno 29L Type1 448 - 733 0 SEP729 None Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 6U2HD 2.5 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_iioo 29L Type1 448 - 733 0 SEP729 None Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 7SHVA 2.88 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaioi APEdist_nnio 29L Type1 449 - 721 0 None None Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 4MNFA 2.802 None DFGin‑BLAminus in-in in-none nonTYR APEdihe_aanii APEdist_nnnn 29L Type1 449 - 720 0 None V600E Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 4MNFB 2.802 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aanoi APEdist_nnnn 29L Type1 449 - 720 0 None V600E Serine/threonine-protein kinase B-raf Homo sapiens
TKL BRAF BRAF_HUMAN 7SHVB 2.88 Inactive DFGin‑BLAminus in-in in-out nonTYR APEdihe_aaiii APEdist_nnio 29L Type1.5_Back 449 - 721 0 None None Serine/threonine-protein kinase B-raf Homo sapiens
TKL RAF1 RAF1_HUMAN 8CHFA 4.25 Inactive DFGin‑None in-out in-out nonTYR APEdihe_aaioi APEdist_iiio 29L Type1 341 - 626 0 SEP621 Y341D RAF proto-oncogene serine/threonine-protein kinase Homo sapiens
TKL RAF1 RAF1_HUMAN 8CHFB 4.25 Inactive DFGin‑None in-out in-out nonTYR APEdihe_aaioi APEdist_iiio 29L Type1 341 - 626 0 SEP621 Y341D RAF proto-oncogene serine/threonine-protein kinase Homo sapiens

Ligand: 29L

Total number of chains: 0
Active chains: 0
Total number of genes: 0
Spatial label Dihedral label Number of Chains Percent Representative

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Family Gene UniprotID PDB Resolution Activity Spatial-Dihedral Chelix-SaltBridge ActLoopNT-ActLoopCT APEtype APEdihe APEdist Ligand Ligand Type Residues in structure Unresolved residues in A-loop Phosphorylation Mutation Protein Organism