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Chlorine in PDB 2g4o: Anomalous Substructure of 3-Isopropylmalate Dehydrogenase

Enzymatic activity of Anomalous Substructure of 3-Isopropylmalate Dehydrogenase

All present enzymatic activity of Anomalous Substructure of 3-Isopropylmalate Dehydrogenase:
1.1.1.85;

Protein crystallography data

The structure of Anomalous Substructure of 3-Isopropylmalate Dehydrogenase, PDB code: 2g4o was solved by C.Mueller-Dieckmann, M.S.Weiss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 78.570, 98.580, 184.030, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 26

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Anomalous Substructure of 3-Isopropylmalate Dehydrogenase (pdb code 2g4o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Anomalous Substructure of 3-Isopropylmalate Dehydrogenase, PDB code: 2g4o:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 2g4o

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Chlorine binding site 1 out of 6 in the Anomalous Substructure of 3-Isopropylmalate Dehydrogenase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Anomalous Substructure of 3-Isopropylmalate Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:35.2
occ:0.50
 O A:HOH859 2.9 40.6 1.0
NH1 A:ARG165 3.1 53.3 1.0
NH2 A:ARG168 3.2 65.1 1.0
CD A:ARG165 3.7 44.4 1.0
CG A:ARG165 3.8 42.4 1.0
CZ A:ARG165 4.1 46.4 1.0
CB A:ARG165 4.2 43.6 1.0
CD A:ARG169 4.2 46.3 1.0
NE A:ARG165 4.3 43.4 1.0
O A:HOH852 4.3 43.2 1.0
CG1 A:VAL118 4.4 49.6 1.0
CD1 A:LEU96 4.4 41.9 1.0
CG2 A:VAL118 4.5 47.0 1.0
CZ A:ARG168 4.5 59.7 1.0
CB A:VAL118 4.9 41.3 1.0
CG A:ARG169 5.0 46.7 1.0

Chlorine binding site 2 out of 6 in 2g4o

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Chlorine binding site 2 out of 6 in the Anomalous Substructure of 3-Isopropylmalate Dehydrogenase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Anomalous Substructure of 3-Isopropylmalate Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl804

b:27.1
occ:0.40
 O A:HOH830 3.1 36.5 1.0
N A:ILE68 3.1 42.7 1.0
CA A:ALA67 3.6 40.9 1.0
C A:ALA67 3.9 41.7 1.0
O A:ILE68 3.9 44.0 1.0
CB A:ALA67 4.0 40.5 1.0
CA A:ILE68 4.1 43.4 1.0
O A:HIS270 4.1 41.1 1.0
CA A:GLY271 4.2 43.4 1.0
OE1 A:GLU267 4.2 53.2 1.0
O A:HOH910 4.2 42.3 1.0
CD1 A:LEU83 4.3 51.2 1.0
CB A:ILE68 4.3 44.2 1.0
C A:ILE68 4.4 44.2 1.0
CD2 A:LEU65 4.7 40.7 1.0
CG1 A:ILE68 4.8 46.3 1.0
O A:GLY66 4.8 38.2 1.0
N A:ALA67 4.8 40.3 1.0
C A:HIS270 4.9 43.5 1.0
C A:GLY271 4.9 44.7 1.0

Chlorine binding site 3 out of 6 in 2g4o

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Chlorine binding site 3 out of 6 in the Anomalous Substructure of 3-Isopropylmalate Dehydrogenase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Anomalous Substructure of 3-Isopropylmalate Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl807

b:53.9
occ:0.35
 O A:HOH906 3.5 45.7 1.0
NH2 A:ARG121 3.7 45.5 1.0
OD1 A:ASP235 3.8 50.4 1.0
NH1 A:ARG97 4.2 43.9 0.4
NH2 A:ARG87 4.4 83.7 1.0
NH1 A:ARG87 4.6 83.5 1.0
CZ A:ARG121 4.7 44.8 1.0
NH1 A:ARG121 4.9 47.3 1.0
CG A:ASP235 5.0 48.2 1.0
CZ A:ARG87 5.0 80.8 1.0

Chlorine binding site 4 out of 6 in 2g4o

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Chlorine binding site 4 out of 6 in the Anomalous Substructure of 3-Isopropylmalate Dehydrogenase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Anomalous Substructure of 3-Isopropylmalate Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl805

b:46.5
occ:0.37
 CD B:ARG165 3.4 53.9 1.0
CG B:ARG165 3.6 52.7 1.0
CD B:ARG169 3.7 58.4 1.0
NH1 B:ARG165 3.8 66.8 1.0
CB B:ARG165 3.9 54.7 1.0
NH1 B:ARG168 4.0 80.3 1.0
CG2 B:VAL118 4.0 56.3 1.0
CG1 B:VAL118 4.3 52.7 1.0
NE B:ARG165 4.4 50.8 1.0
CB B:VAL118 4.5 50.8 1.0
CD1 B:LEU96 4.5 43.7 1.0
CZ B:ARG165 4.6 61.4 1.0
CG B:ARG169 4.6 56.4 1.0
CA B:ARG165 4.7 54.9 1.0
NH2 B:ARG168 4.8 81.1 1.0
NE B:ARG169 4.9 55.6 1.0
CZ B:ARG168 4.9 83.4 1.0
O B:ARG165 5.0 57.0 1.0
NH1 B:ARG169 5.0 55.0 1.0

Chlorine binding site 5 out of 6 in 2g4o

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Chlorine binding site 5 out of 6 in the Anomalous Substructure of 3-Isopropylmalate Dehydrogenase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Anomalous Substructure of 3-Isopropylmalate Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl806

b:34.1
occ:0.35
 O C:HOH835 2.8 42.8 1.0
NH1 C:ARG165 3.5 36.0 1.0
CD C:ARG165 3.5 35.0 1.0
O C:HOH949 3.6 58.5 1.0
NH1 C:ARG168 3.8 48.0 0.5
CG C:ARG165 3.8 32.1 1.0
CD C:ARG169 3.9 38.7 1.0
CB C:ARG165 4.0 35.8 1.0
CG2 C:VAL118 4.1 41.8 1.0
O C:HOH864 4.2 37.8 1.0
CG1 C:VAL118 4.3 40.6 1.0
CD1 C:LEU96 4.4 38.9 1.0
NE C:ARG165 4.4 38.1 1.0
CZ C:ARG165 4.4 36.1 1.0
CB C:VAL118 4.6 34.3 1.0
CG C:ARG169 4.7 38.6 1.0
CZ C:ARG168 4.7 46.9 0.5
NH2 C:ARG168 4.8 41.8 0.5
CA C:ARG165 4.9 35.9 1.0
NE C:ARG169 5.0 33.3 1.0

Chlorine binding site 6 out of 6 in 2g4o

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Chlorine binding site 6 out of 6 in the Anomalous Substructure of 3-Isopropylmalate Dehydrogenase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Anomalous Substructure of 3-Isopropylmalate Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl808

b:32.8
occ:0.35
 O D:HOH916 3.0 52.4 1.0
NH1 D:ARG165 3.2 43.3 1.0
CD D:ARG165 3.6 37.3 1.0
CG D:ARG165 3.7 37.1 1.0
CB D:ARG165 4.1 38.6 1.0
O D:HOH915 4.1 55.1 1.0
CZ D:ARG165 4.2 42.5 1.0
CD D:ARG169 4.3 38.2 1.0
CD1 D:LEU96 4.3 37.6 1.0
CG1 D:VAL118 4.3 36.4 1.0
NE D:ARG165 4.4 36.1 1.0
CG2 D:VAL118 4.4 38.5 1.0
O D:HOH828 4.5 44.4 1.0
CB D:VAL118 4.8 31.8 1.0
CD2 D:LEU96 4.8 34.4 1.0
CA D:ARG165 4.9 37.4 1.0
CG D:ARG169 5.0 37.6 1.0

Reference:

C.Mueller-Dieckmann, S.Panjikar, A.Schmidt, S.Mueller, J.Kuper, A.Geerlof, M.Wilmanns, R.K.Singh, P.A.Tucker, M.S.Weiss. On the Routine Use of Soft X-Rays in Macromolecular Crystallography. Part IV. Efficient Determination of Anomalous Substructures in Biomacromolecules Using Longer X-Ray Wavelengths. Acta Crystallogr.,Sect.D V. 63 366 2007.
ISSN: ISSN 0907-4449
PubMed: 17327674
DOI: 10.1107/S0907444906055624
Page generated: Sat Jul 20 07:18:33 2024

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