Ligand: 4K4

Total number of chains: 4
Active chains: 3
Total number of genes: 2
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 4 100.0% 8FO7C
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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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
CAMK CHEK1 CHK1_HUMAN 5OQ5A 1.4 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4K4 Type1 3 - 270 0 None N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A Serine/threonine-protein kinase Chk1
CAMK CHEK1 CHK1_HUMAN 5OQ6A 1.95 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4K4 Type1 5 - 270 0 None A19S,Y20F,N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S Serine/threonine-protein kinase Chk1
CAMK CHEK1 CHK1_HUMAN 5OOTA 2.1 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4K4 Type1 4 - 270 0 None N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S Serine/threonine-protein kinase Chk1
TKL LRRK2 LRRK2_HUMAN 8FO7C 3.52 Inactive DFGin‑BLAminus in-out in-in nonTYR APEdihe_aaiii APEdist_iiii 4K4 Type1 1329 - 2527 0 None None Leucine-rich repeat serine/threonine-protein kinase 2

Ligand: 4K4

Total number of chains: 6
Active chains: 3
Total number of genes: 3
Spatial label Dihedral label Number of Chains Percent Representative
DFGin BLAminus 5 83.3% 8FO7C
DFGin ABAminus 1 16.7% 4YZMB
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
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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 ROCO4 ROCO4_DICDI 4YZMB 3.0 Inactive DFGin‑ABAminus in-in out-out nonTYR APEdihe_aaiai APEdist_nioo 4K4 Type1 1019 - 1292 0 None F1107L,F1161L Probable serine/threonine-protein kinase roco4 Dictyostelium discoideum
TKL ROCO4 ROCO4_DICDI 4YZMA 3.0 Inactive DFGin‑BLAminus in-in out-out nonTYR APEdihe_aaoai APEdist_nnoo 4K4 Type1 1019 - 1292 0 None F1107L,F1161L Probable serine/threonine-protein kinase roco4 Dictyostelium discoideum
CAMK CHEK1 CHK1_HUMAN 5OQ5A 1.4 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4K4 Type1 3 - 270 0 None N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A Serine/threonine-protein kinase Chk1 Homo sapiens
CAMK CHEK1 CHK1_HUMAN 5OQ6A 1.95 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4K4 Type1 5 - 270 0 None A19S,Y20F,N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S Serine/threonine-protein kinase Chk1 Homo sapiens
CAMK CHEK1 CHK1_HUMAN 5OOTA 2.1 Active DFGin‑BLAminus in-in in-in nonTYR APEdihe_aaiii APEdist_iiii 4K4 Type1 4 - 270 0 None N59L,V68I,L84M,Y86L,C87A,E91S,E134H,S147A,F149Y,G150S Serine/threonine-protein kinase Chk1 Homo sapiens
TKL LRRK2 LRRK2_HUMAN 8FO7C 3.52 Inactive DFGin‑BLAminus in-out in-in nonTYR APEdihe_aaiii APEdist_iiii 4K4 Type1 1329 - 2527 0 None None Leucine-rich repeat serine/threonine-protein kinase 2 Homo sapiens

Ligand: 4K4

Total number of chains: 2
Active chains: 0
Total number of genes: 1
Spatial label Dihedral label Number of Chains Percent Representative
DFGin ABAminus 1 50.0% 4YZMB
DFGin BLAminus 1 50.0% 4YZMA
All chains
Pymol session (all) Pymol script (all)
Representatives
Pymol session (repr) Pymol script (repr)
All chains - renumbered by
Uniprot PDB Alignment
Download database table as tsv Go to Advanced Page
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 ROCO4 ROCO4_DICDI 4YZMB 3.0 Inactive DFGin‑ABAminus in-in out-out nonTYR APEdihe_aaiai APEdist_nioo 4K4 Type1 1019 - 1292 0 None F1107L,F1161L Probable serine/threonine-protein kinase roco4 Dictyostelium discoideum
TKL ROCO4 ROCO4_DICDI 4YZMA 3.0 Inactive DFGin‑BLAminus in-in out-out nonTYR APEdihe_aaoai APEdist_nnoo 4K4 Type1 1019 - 1292 0 None F1107L,F1161L Probable serine/threonine-protein kinase roco4 Dictyostelium discoideum