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Chlorine in PDB 2jfl: Crystal Structure of Human STE20-Like Kinase (Diphosphorylated Form) Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide

Enzymatic activity of Crystal Structure of Human STE20-Like Kinase (Diphosphorylated Form) Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide

All present enzymatic activity of Crystal Structure of Human STE20-Like Kinase (Diphosphorylated Form) Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Human STE20-Like Kinase (Diphosphorylated Form) Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide, PDB code: 2jfl was solved by A.C.W.Pike, P.Rellos, O.Fedorov, T.Keates, E.Salah, P.Savitsky, E.Papagrigoriou, G.Bunkoczi, F.Von Delft, C.H.Arrowsmith, A.Edwards, J.Weigelt, M.Sundstrom, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.20
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 101.368, 101.368, 177.238, 90.00, 90.00, 120.00
R / Rfree (%) 20.3 / 24.2

Other elements in 2jfl:

The structure of Crystal Structure of Human STE20-Like Kinase (Diphosphorylated Form) Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human STE20-Like Kinase (Diphosphorylated Form) Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide (pdb code 2jfl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human STE20-Like Kinase (Diphosphorylated Form) Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide, PDB code: 2jfl:

Chlorine binding site 1 out of 1 in 2jfl

Go back to Chlorine Binding Sites List in 2jfl
Chlorine binding site 1 out of 1 in the Crystal Structure of Human STE20-Like Kinase (Diphosphorylated Form) Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human STE20-Like Kinase (Diphosphorylated Form) Bound to 5- Amino-3-((4-(Aminosulfonyl)Phenyl)Amino)-N-(2,6- Difluorophenyl)-1H-1,2,4-Triazole-1-Carbothioamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1316

b:71.5
occ:1.00
NAQ A:DKI1309 3.5 57.7 1.0
CAZ A:DKI1309 3.5 59.0 1.0
FAG A:DKI1309 3.7 64.2 1.0
CAV A:DKI1309 3.7 61.2 1.0
CA A:GLY41 3.8 59.1 1.0
N A:GLY41 3.8 58.4 1.0
CB A:VAL48 4.0 54.9 1.0
CG2 A:VAL48 4.1 53.9 1.0
CAL A:DKI1309 4.1 58.0 1.0
CG1 A:VAL48 4.2 53.4 1.0
CAN A:DKI1309 4.3 60.0 1.0
CB A:LEU40 4.3 56.6 1.0
NAP A:DKI1309 4.4 52.8 1.0
C A:LEU40 4.4 57.5 1.0
CAU A:DKI1309 4.4 58.5 1.0
CAJ A:DKI1309 4.7 60.1 1.0
O A:HOH2059 4.7 46.4 1.0
CAS A:DKI1309 4.7 54.8 1.0
C A:GLY41 4.7 59.9 1.0
O A:LEU40 4.8 58.0 1.0
FAF A:DKI1309 4.9 56.9 1.0

Reference:

A.C.W.Pike, P.Rellos, F.H.Niesen, A.Turnbull, A.W.Oliver, S.A.Parker, B.E.Turk, L.H.Pearl, S.Knapp. Activation Segment Dimerization: A Mechanism For Kinase Autophosphorylation of Non-Consensus Sites. Embo J. V. 27 704 2008.
ISSN: ISSN 0261-4189
PubMed: 18239682
DOI: 10.1038/EMBOJ.2008.8
Page generated: Thu Jul 10 23:08:05 2025

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