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Chlorine in PDB 3krv: The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity

Protein crystallography data

The structure of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity, PDB code: 3krv was solved by N.Rakonjac, P.Rezacova, D.Borek, F.Collart, A.Joachimiak, Z.Otwinowski, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.88 / 2.55
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 119.096, 119.096, 124.413, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 24.4

Other elements in 3krv:

The structure of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity (pdb code 3krv). 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 Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity, PDB code: 3krv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3krv

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Chlorine binding site 1 out of 8 in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:65.4
occ:1.00
NH2 A:ARG197 2.6 30.3 1.0
O B:HOH261 3.0 51.9 1.0
CE2 B:PHE63 3.5 24.1 1.0
CZ A:ARG197 3.7 27.9 1.0
CD2 B:PHE63 3.8 23.9 1.0
NH1 A:ARG197 4.0 25.8 1.0
O B:PHE63 4.1 25.9 1.0
CG B:PRO185 4.2 19.6 1.0
CA B:GLU64 4.4 28.1 1.0
O B:ILE66 4.5 34.6 1.0
CZ B:PHE63 4.5 25.9 1.0
CA B:LYS187 4.7 22.0 1.0
CG B:LYS187 4.7 20.9 1.0
C B:PHE63 4.7 27.3 1.0
O B:LEU186 4.8 22.6 1.0
NE A:ARG197 4.8 28.6 1.0
N B:GLU64 4.9 27.6 1.0
CG B:PHE63 5.0 27.4 1.0

Chlorine binding site 2 out of 8 in 3krv

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Chlorine binding site 2 out of 8 in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:77.6
occ:1.00
NH2 A:ARG178 3.7 30.2 1.0
NE A:ARG178 3.7 30.2 1.0
CZ A:ARG178 4.2 32.3 1.0
O3 A:GOL214 4.7 68.5 1.0
O2 A:GOL214 4.8 67.8 1.0
CD A:ARG178 4.9 27.3 1.0

Chlorine binding site 3 out of 8 in 3krv

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Chlorine binding site 3 out of 8 in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:84.1
occ:1.00
O A:HOH283 2.3 61.1 1.0
O B:HOH259 3.0 34.1 1.0
N A:LEU68 3.4 21.2 1.0
O A:HOH249 3.5 36.0 1.0
CA A:PRO67 3.7 20.2 1.0
CB A:LEU68 4.0 21.4 1.0
CG A:LEU68 4.1 22.1 1.0
C A:PRO67 4.1 20.6 1.0
CB A:PRO67 4.2 20.1 1.0
CA A:LEU68 4.4 21.9 1.0
OD1 A:ASN69 4.4 38.3 1.0
CD1 A:LEU68 4.6 23.0 1.0
O A:ILE66 4.6 18.9 1.0
N A:PRO67 4.9 20.0 1.0

Chlorine binding site 4 out of 8 in 3krv

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Chlorine binding site 4 out of 8 in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl207

b:63.4
occ:1.00
O B:HOH246 3.4 36.7 1.0
CD B:PRO9 3.9 22.4 1.0
NE B:ARG170 4.0 28.1 1.0
CG B:ARG170 4.4 23.1 1.0
O B:HOH240 4.4 50.6 1.0
CG B:PRO9 4.5 22.5 1.0
NH2 B:ARG170 4.6 32.5 1.0
CB B:ARG170 4.8 22.5 1.0
CD B:ARG170 4.8 24.3 1.0
CZ B:ARG170 4.9 30.2 1.0

Chlorine binding site 5 out of 8 in 3krv

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Chlorine binding site 5 out of 8 in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl208

b:79.4
occ:1.00
ND2 B:ASN69 3.1 43.4 1.0
N B:LEU68 3.5 35.0 1.0
N B:ASN69 3.6 35.0 1.0
CA B:PRO67 3.8 36.1 1.0
CB B:PRO67 3.8 35.9 1.0
CG B:ASN69 3.9 40.5 1.0
C B:PRO67 3.9 35.7 1.0
CA B:LEU68 4.2 34.2 1.0
CB B:LEU68 4.3 33.8 1.0
CB B:ASN69 4.3 36.1 1.0
C B:LEU68 4.4 34.3 1.0
CA B:ASN69 4.6 35.4 1.0
OD1 B:ASN69 4.7 43.1 1.0
O B:PRO67 4.7 35.9 1.0

Chlorine binding site 6 out of 8 in 3krv

Go back to Chlorine Binding Sites List in 3krv
Chlorine binding site 6 out of 8 in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl209

b:73.9
occ:1.00
C B:GLY177 3.9 28.9 1.0
CA B:GLY177 3.9 28.7 1.0
O B:GLY177 4.0 28.2 1.0
CE1 B:PHE78 4.1 28.2 1.0
O B:LEU77 4.1 28.8 1.0
CB B:LYS76 4.2 27.6 1.0
N B:ARG178 4.3 28.9 1.0
CG B:LYS76 4.5 28.1 1.0
CZ B:PHE78 4.5 28.1 1.0
N B:GLY177 4.5 29.2 1.0
CD1 B:PHE78 4.5 28.8 1.0
CG B:ARG178 4.6 30.8 1.0
CA B:LYS76 4.7 27.4 1.0
N B:LEU77 4.8 27.0 1.0
CD B:LYS76 4.8 30.8 1.0
C B:LEU77 4.9 27.9 1.0

Chlorine binding site 7 out of 8 in 3krv

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Chlorine binding site 7 out of 8 in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl210

b:70.5
occ:1.00
N B:ASN84 3.5 26.5 1.0
CA B:VAL83 3.9 25.8 1.0
C B:VAL83 4.2 26.4 1.0
O B:HIS82 4.4 27.1 1.0
O B:HOH222 4.4 44.8 1.0
CA B:ASN84 4.5 26.8 1.0
ND2 B:ASN84 4.5 27.6 1.0
CB B:ASN84 4.5 26.6 1.0
O B:ASN84 4.6 25.6 1.0
OD1 B:ASP91 4.7 27.4 1.0
CB B:VAL83 4.7 25.2 1.0
CG2 B:VAL83 4.8 24.9 1.0
CG1 B:VAL83 4.8 24.2 1.0
N B:VAL83 4.9 26.1 1.0

Chlorine binding site 8 out of 8 in 3krv

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Chlorine binding site 8 out of 8 in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl211

b:81.6
occ:1.00
O B:HOH263 2.7 42.5 1.0
O A:HOH280 2.8 45.4 1.0
O B:THR48 3.0 22.1 1.0
O B:ALA196 3.3 23.9 1.0
CD1 B:ILE10 3.7 16.9 1.0
CG2 B:THR7 3.7 19.4 1.0
N B:ALA196 3.8 24.9 1.0
CB B:PRO195 4.0 27.0 1.0
N B:THR48 4.0 20.6 1.0
C B:THR48 4.0 22.1 1.0
C B:ALA196 4.0 23.2 1.0
CB B:THR48 4.1 21.1 1.0
CA B:THR48 4.3 20.7 1.0
CG1 B:ILE10 4.3 19.4 1.0
C B:PRO195 4.3 26.2 1.0
CA B:PRO195 4.3 26.6 1.0
O B:HOH232 4.5 33.1 1.0
CA B:ALA196 4.6 23.7 1.0
O B:ALA8 4.6 22.6 1.0
CD1 A:LEU186 4.7 21.1 1.0
O B:THR46 4.8 23.2 1.0
C B:GLY47 4.9 21.2 1.0
OG1 B:THR48 4.9 20.4 1.0
N B:ARG197 4.9 22.1 1.0

Reference:

P.Rezacova, N.Rakonjac, J.Maderova, D.Borek, D.Tomchick, A.Joachimiak, F.Collart, Z.Otwinowski. The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity To Be Published.
Page generated: Sat Dec 12 09:51:34 2020

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