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Chlorine in PDB 2ov2: The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)

Enzymatic activity of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)

All present enzymatic activity of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4):
2.7.11.1;

Protein crystallography data

The structure of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4), PDB code: 2ov2 was solved by E.Ugochukwu, X.Yang, J.M.Elkins, N.Burgess-Brown, G.Bunkoczi, J.E.D.Debreczeni, M.Sundstrom, C.H.Arrowsmith, J.Weigelt, A.Edwards, F.Von Delft, S.Knapp, D.A.Doyle, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 62.11 / 2.10
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 50.843, 73.859, 133.840, 88.58, 87.76, 70.64
R / Rfree (%) 17.2 / 22.5

Other elements in 2ov2:

The structure of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) (pdb code 2ov2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4), PDB code: 2ov2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 2ov2

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Chlorine binding site 1 out of 8 in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1201

b:65.0
occ:1.00
 O A:SER151 3.6 37.8 1.0
O A:HOH1225 4.1 30.4 1.0
CG A:ARG147 4.2 44.6 1.0
CD1 A:LEU143 4.3 38.0 1.0
O A:VAL152 4.4 38.1 1.0
C A:VAL152 4.4 38.5 1.0
N A:LYS153 4.4 38.7 1.0
CB A:ALA146 4.4 39.5 1.0
C A:SER151 4.5 38.0 1.0
CA A:LYS153 4.5 39.2 1.0
N A:TYR154 4.6 38.3 1.0
OG A:SER151 4.7 37.6 0.5
N A:ARG147 4.7 41.5 1.0
C A:LYS153 4.7 38.9 1.0
C A:ALA146 4.8 40.4 1.0
CA A:ARG147 4.8 42.6 1.0
O A:ALA146 4.9 39.6 1.0
NE A:ARG147 4.9 50.5 1.0

Chlorine binding site 2 out of 8 in 2ov2

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Chlorine binding site 2 out of 8 in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1207

b:70.0
occ:1.00
 O A:HOH1257 3.4 44.2 1.0
O A:GLU156 4.0 36.2 1.0
CD2 A:LEU117 4.0 35.3 1.0
NE A:ARG163 4.1 42.3 1.0
O A:HOH1288 4.1 30.6 1.0
CG A:ARG163 4.5 39.5 1.0
CD A:ARG163 4.6 41.5 1.0
CA A:GLY164 4.6 38.5 1.0
CZ A:ARG163 4.6 43.9 1.0
NH2 A:ARG163 4.8 43.2 1.0
O A:HOH1215 4.8 24.6 1.0
N A:GLY164 4.8 38.0 1.0
C A:GLU156 4.8 36.9 1.0
O A:HOH1244 4.9 39.1 1.0

Chlorine binding site 3 out of 8 in 2ov2

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Chlorine binding site 3 out of 8 in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1204

b:65.6
occ:1.00
 O B:LEU160 3.3 38.0 1.0
OG B:SER22 3.6 37.0 1.0
O B:ALA159 3.9 36.5 1.0
CB B:PHE28 4.0 38.8 1.0
CG B:GLN162 4.1 38.0 1.0
N B:PHE28 4.1 39.0 1.0
CD B:GLN162 4.2 38.6 1.0
C B:LEU160 4.3 37.2 1.0
NE2 B:GLN162 4.3 38.8 1.0
O B:ASN26 4.4 40.0 1.0
C B:ALA27 4.5 39.2 1.0
CA B:PHE28 4.6 38.9 1.0
C B:ASN26 4.6 39.7 1.0
CA B:ALA27 4.7 39.8 1.0
N B:ALA27 4.7 39.5 1.0
CA B:LEU160 4.7 37.1 1.0
NE2 I:HIS28 4.8 40.4 1.0
CB B:SER22 4.8 36.2 1.0
OE1 B:GLN162 4.8 39.2 1.0
CG B:PHE28 4.9 38.6 1.0
CD1 B:PHE28 5.0 37.8 1.0
C B:ALA159 5.0 36.6 1.0

Chlorine binding site 4 out of 8 in 2ov2

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Chlorine binding site 4 out of 8 in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1203

b:59.9
occ:1.00
 O B:HOH1213 2.9 22.5 1.0
O C:ARG102 3.4 39.6 1.0
CG C:ARG102 3.6 41.7 1.0
OE1 B:GLU148 3.8 54.9 1.0
N B:MET145 3.9 37.2 1.0
C C:ARG102 3.9 40.0 1.0
C B:ALA144 3.9 37.5 1.0
O B:ALA144 4.0 36.1 1.0
NH2 B:ARG94 4.0 52.8 1.0
CB B:ALA144 4.0 36.9 1.0
CA B:MET145 4.1 38.7 1.0
CD C:ARG102 4.2 41.2 1.0
CB C:PRO106 4.3 36.8 1.0
CA C:PRO106 4.4 36.6 1.0
N C:HIS103 4.4 40.0 1.0
CA C:HIS103 4.5 40.1 1.0
CB C:ARG102 4.5 40.2 1.0
CD B:GLU148 4.6 50.9 1.0
CB B:MET145 4.6 38.5 1.0
CB B:GLU148 4.6 42.9 1.0
CA B:ALA144 4.7 37.4 1.0
O B:HOH1260 4.7 34.5 1.0
CG C:PRO106 4.7 37.0 1.0
O C:HOH1394 4.8 42.8 1.0
CA C:ARG102 4.8 40.0 1.0
SD B:MET145 4.8 43.7 1.0
CE B:MET145 4.9 44.9 1.0
CG B:GLU148 4.9 46.4 1.0

Chlorine binding site 5 out of 8 in 2ov2

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Chlorine binding site 5 out of 8 in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1208

b:69.6
occ:1.00
 O E:LEU160 3.7 35.9 1.0
CG E:GLN162 4.2 37.6 1.0
CD E:GLN162 4.2 38.7 1.0
NE2 E:GLN162 4.2 37.2 1.0
O E:ASN26 4.2 40.1 1.0
N E:PHE28 4.3 38.1 1.0
OG E:SER22 4.4 35.4 1.0
O E:HOH1301 4.5 41.6 1.0
O E:HOH1219 4.5 36.4 1.0
O E:ALA159 4.5 36.2 1.0
C E:ASN26 4.5 39.7 1.0
CB E:PHE28 4.6 37.6 1.0
C E:ALA27 4.6 38.1 1.0
CA E:ALA27 4.7 38.6 1.0
OE1 E:GLN162 4.7 38.9 1.0
C E:LEU160 4.8 36.7 1.0
N E:ALA27 4.8 39.0 1.0
O E:HOH1321 5.0 45.7 1.0
CA E:PHE28 5.0 37.8 1.0

Chlorine binding site 6 out of 8 in 2ov2

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Chlorine binding site 6 out of 8 in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Cl1206

b:84.7
occ:1.00
 O F:HOH1349 3.1 52.8 1.0
O N:PRO14 3.2 41.2 1.0
O F:THR24 3.8 38.6 1.0
ND2 F:ASN26 3.9 41.1 1.0
O F:HOH1351 4.0 50.9 1.0
O F:TYR23 4.1 37.3 1.0
CG N:PRO14 4.1 40.9 1.0
CD N:PRO14 4.2 41.1 1.0
CG F:ASN26 4.2 40.7 1.0
C N:PRO14 4.3 40.9 1.0
C F:THR24 4.4 38.6 1.0
OD1 F:ASN26 4.5 41.9 1.0
N N:PRO14 4.5 40.9 1.0
CB N:ALA13 4.6 40.6 1.0
CA N:PRO14 4.8 40.8 1.0
CB N:PRO14 4.9 40.8 1.0
CB F:ASN26 4.9 39.4 1.0
N F:THR25 5.0 38.9 1.0
N F:ASN26 5.0 38.9 1.0

Chlorine binding site 7 out of 8 in 2ov2

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Chlorine binding site 7 out of 8 in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) within 5.0Å range:
probe atom residue distance (Å) B Occ
O:Cl1209

b:60.2
occ:1.00
 O O:HOH759 2.6 46.1 1.0
N O:GLN27 3.4 34.9 1.0
CB O:GLN27 4.0 34.7 1.0
CG O:GLN27 4.1 34.2 1.0
CA O:ASP26 4.2 36.2 1.0
OD1 O:ASP26 4.2 42.6 1.0
CA O:GLN27 4.2 35.0 1.0
C O:ASP26 4.3 35.7 1.0
CG O:ASP26 4.5 39.3 1.0
O O:PHE25 4.5 35.5 1.0
ND1 O:HIS28 4.5 40.6 1.0
N O:HIS28 4.6 36.1 1.0
CB O:ASP26 4.9 36.8 1.0
OD2 O:ASP26 4.9 42.0 1.0
C O:GLN27 5.0 35.4 1.0

Chlorine binding site 8 out of 8 in 2ov2

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Chlorine binding site 8 out of 8 in the The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Cl1205

b:61.0
occ:1.00
 N P:GLN27 3.4 33.8 1.0
OD1 P:ASP26 3.9 38.2 1.0
O P:PHE25 3.9 34.8 1.0
CA P:ASP26 3.9 34.5 1.0
ND1 P:HIS28 4.0 41.3 1.0
CB P:GLN27 4.1 34.1 1.0
O E:HOH1237 4.1 36.3 1.0
CD2 E:PHE28 4.1 37.1 1.0
CE2 E:PHE28 4.2 37.5 1.0
C P:ASP26 4.2 34.1 1.0
CG P:GLN27 4.3 32.9 1.0
CA P:GLN27 4.3 34.1 1.0
O E:PRO29 4.3 39.3 1.0
CE1 P:HIS28 4.4 41.2 1.0
CG P:ASP26 4.5 35.3 1.0
O E:GLY30 4.6 41.6 1.0
CA E:GLY30 4.7 40.7 1.0
N P:HIS28 4.7 35.5 1.0
CB P:ASP26 4.8 34.7 1.0
C P:PHE25 4.8 34.5 1.0
N P:ASP26 4.9 34.6 1.0
C E:GLY30 4.9 41.2 1.0

Reference:

E.Ugochukwu, X.Yang, J.M.Elkins, N.Burgess-Brown, S.Knapp, D.A.Doyle. The Crystal Structure of the Human RAC3 in Complex with the Crib Domain of Human P21-Activated Kinase 4 (PAK4) To Be Published.
Page generated: Sat Dec 12 09:14:17 2020

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