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Chlorine in PDB 2j91: Crystal Structure of Human Adenylosuccinate Lyase in Complex with Amp

Enzymatic activity of Crystal Structure of Human Adenylosuccinate Lyase in Complex with Amp

All present enzymatic activity of Crystal Structure of Human Adenylosuccinate Lyase in Complex with Amp:
4.3.2.2;

Protein crystallography data

The structure of Crystal Structure of Human Adenylosuccinate Lyase in Complex with Amp, PDB code: 2j91 was solved by P.Stenmark, M.Moche, C.Arrowsmith, H.Berglund, R.Busam, R.Collins, A.Edwards, U.B.Ericsson, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, B.M.Hallberg, L.Holmberg Schiavone, M.Hogbom, I.Johansson, T.Karlberg, U.Kosinska, T.Kotenyova, A.Magnusdottir, M.E.Nilsson, P.Nilsson-Ehle, T.Nyman, D.Ogg, C.Persson, J.Sagemark, M.Sundstrom, J.Uppenberg, M.Uppsten, A.G.Thorsell, S.Van Den Berg, K.Wallden, J.Weigelt, P.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 106.60 / 1.8
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.370, 104.342, 213.396, 90.00, 90.00, 90.00
R / Rfree (%) 15.7 / 19.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Adenylosuccinate Lyase in Complex with Amp (pdb code 2j91). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human Adenylosuccinate Lyase in Complex with Amp, PDB code: 2j91:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2j91

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Chlorine binding site 1 out of 4 in the Crystal Structure of Human Adenylosuccinate Lyase in Complex with Amp


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 Adenylosuccinate Lyase in Complex with Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:17.6
occ:1.00
N A:GLY200 3.2 25.1 1.0
NH1 A:ARG196 3.2 25.1 1.0
N A:LYS199 3.3 23.6 1.0
N A:THR111 3.6 23.1 1.0
NH2 A:ARG196 3.6 28.4 1.0
CB A:TYR114 3.6 24.2 1.0
CZ A:ARG196 3.9 26.0 1.0
CA A:GLY200 3.9 25.1 1.0
CG2 A:THR111 3.9 26.5 1.0
CA A:ALA110 4.0 25.8 1.0
CE2 A:PHE208 4.0 22.5 1.0
CA A:VAL198 4.1 24.7 1.0
C A:LYS199 4.1 25.1 1.0
CA A:LYS199 4.1 24.5 1.0
C A:VAL198 4.1 25.1 1.0
CB A:ALA110 4.2 26.0 1.0
CZ A:PHE208 4.2 24.0 1.0
CA A:TYR114 4.2 25.0 1.0
O A:THR111 4.3 23.9 1.0
C A:ALA110 4.3 26.0 1.0
CG A:TYR114 4.4 23.3 1.0
CD1 A:TYR114 4.4 23.3 1.0
N A:TYR114 4.4 25.1 1.0
O A:GLY197 4.5 22.1 1.0
CA A:THR111 4.6 25.6 1.0
C A:GLY200 4.6 24.5 1.0
CB A:THR111 4.7 27.5 1.0
O A:GLY200 4.7 25.8 1.0
CB A:LYS199 4.7 23.9 1.0
CB A:VAL198 4.8 27.4 1.0
C A:THR111 4.9 26.5 1.0

Chlorine binding site 2 out of 4 in 2j91

Go back to Chlorine Binding Sites List in 2j91
Chlorine binding site 2 out of 4 in the Crystal Structure of Human Adenylosuccinate Lyase in Complex with Amp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Adenylosuccinate Lyase in Complex with Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1001

b:27.9
occ:1.00
CG2 B:THR111 3.1 35.4 1.0
N B:GLY200 3.1 28.1 1.0
NH1 B:ARG196 3.2 24.9 1.0
N B:LYS199 3.5 27.1 1.0
N B:THR111 3.6 34.2 1.0
O B:HOH2095 3.6 39.1 1.0
NH2 B:ARG196 3.6 25.9 1.0
CB B:TYR114 3.7 26.4 1.0
CA B:GLY200 3.8 28.2 1.0
CE2 B:PHE208 3.9 32.4 1.0
CZ B:ARG196 3.9 24.1 1.0
CA B:VAL198 4.1 27.4 1.0
C B:LYS199 4.1 28.4 1.0
CA B:ALA110 4.2 35.2 1.0
CB B:THR111 4.2 36.0 1.0
CA B:TYR114 4.3 27.8 1.0
C B:VAL198 4.3 27.4 1.0
CA B:LYS199 4.3 26.6 1.0
O B:THR111 4.3 32.3 1.0
CA B:THR111 4.4 34.4 1.0
N B:TYR114 4.4 28.3 1.0
C B:ALA110 4.4 35.0 1.0
CB B:ALA110 4.4 34.6 1.0
C B:GLY200 4.5 28.3 1.0
O B:GLY200 4.5 26.5 1.0
CG B:TYR114 4.6 27.5 1.0
CD1 B:TYR114 4.6 26.6 1.0
CB B:VAL198 4.7 28.1 1.0
C B:THR111 4.7 33.5 1.0
CD2 B:PHE208 4.7 29.9 1.0
O B:GLY197 4.7 26.7 1.0
CZ B:PHE208 4.8 31.4 1.0
CG1 B:VAL198 5.0 28.2 1.0
O B:HOH2176 5.0 40.7 1.0

Chlorine binding site 3 out of 4 in 2j91

Go back to Chlorine Binding Sites List in 2j91
Chlorine binding site 3 out of 4 in the Crystal Structure of Human Adenylosuccinate Lyase in Complex with Amp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Adenylosuccinate Lyase in Complex with Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1001

b:13.8
occ:1.00
N C:GLY200 3.2 25.7 1.0
NH1 C:ARG196 3.2 23.9 1.0
N C:LYS199 3.3 25.4 1.0
N C:THR111 3.5 26.3 1.0
NH2 C:ARG196 3.6 24.2 1.0
CB C:TYR114 3.6 24.3 1.0
CE2 C:PHE208 3.9 27.7 1.0
CZ C:ARG196 3.9 26.7 1.0
CG2 C:THR111 3.9 22.8 1.0
CA C:GLY200 3.9 26.3 1.0
CA C:ALA110 4.0 25.4 1.0
CA C:VAL198 4.1 25.7 1.0
CZ C:PHE208 4.1 27.1 1.0
CB C:ALA110 4.1 25.7 1.0
C C:LYS199 4.1 25.9 1.0
C C:VAL198 4.2 25.7 1.0
CA C:LYS199 4.2 25.6 1.0
C C:ALA110 4.3 25.4 1.0
CA C:TYR114 4.3 24.0 1.0
O C:THR111 4.3 23.8 1.0
CG C:TYR114 4.4 22.9 1.0
N C:TYR114 4.4 24.0 1.0
CD1 C:TYR114 4.5 24.8 1.0
C C:GLY200 4.5 24.9 1.0
CA C:THR111 4.5 24.6 1.0
O C:GLY197 4.6 24.4 1.0
O C:GLY200 4.6 24.0 1.0
CB C:THR111 4.6 26.7 1.0
CB C:VAL198 4.7 25.2 1.0
CB C:LYS199 4.8 24.8 1.0
C C:THR111 4.9 25.3 1.0

Chlorine binding site 4 out of 4 in 2j91

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Chlorine binding site 4 out of 4 in the Crystal Structure of Human Adenylosuccinate Lyase in Complex with Amp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Adenylosuccinate Lyase in Complex with Amp within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1001

b:29.6
occ:1.00
N D:GLY200 3.1 25.6 1.0
NH1 D:ARG196 3.2 30.3 1.0
N D:THR111 3.4 41.2 1.0
N D:LYS199 3.4 27.7 1.0
CB D:TYR114 3.6 30.7 1.0
NH2 D:ARG196 3.7 28.8 1.0
CG2 D:THR111 3.8 37.3 1.0
CA D:GLY200 3.8 27.4 1.0
CE2 D:PHE208 3.8 36.3 1.0
CA D:ALA110 3.8 41.8 1.0
CZ D:ARG196 4.0 30.2 1.0
CB D:ALA110 4.0 42.1 1.0
C D:ALA110 4.1 42.0 1.0
CA D:VAL198 4.1 28.6 1.0
C D:LYS199 4.1 25.7 1.0
C D:VAL198 4.2 29.6 1.0
O D:THR111 4.3 40.9 1.0
CA D:LYS199 4.3 26.3 1.0
CA D:TYR114 4.3 31.8 1.0
CA D:THR111 4.4 39.7 1.0
N D:TYR114 4.4 32.0 1.0
CB D:THR111 4.4 40.2 1.0
CZ D:PHE208 4.5 35.4 1.0
C D:GLY200 4.5 28.0 1.0
CG D:TYR114 4.5 30.8 1.0
O D:GLY200 4.6 28.7 1.0
CD1 D:TYR114 4.6 28.9 1.0
O D:GLY197 4.7 28.2 1.0
CB D:VAL198 4.7 29.5 1.0
C D:THR111 4.7 40.0 1.0
CD2 D:PHE208 4.9 35.6 1.0

Reference:

P.Stenmark, M.Moche, C.Arrowsmith, H.Berglund, R.Busam, R.Collins, A.Edwards, U.B.Ericsson, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, B.M.Hallberg, L.Holmberg Schiavone, M.Hogbom, I.Johansson, T.Karlberg, U.Kosinska, T.Kotenyova, A.Magnusdottir, M.E.Nilsson, P.Nilsson-Ehle, T.Nyman, D.Ogg, C.Persson, J.Sagemark, M.Sundstrom, J.Uppenberg, M.Uppsten, A.G.Thorsell, S.Van Den Berg, K.Wallden, J.Weigelt, P.Nordlund. Crystal Structure of Human Adenylosuccinate Lyase To Be Published.
Page generated: Thu Jul 10 23:04:16 2025

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