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Chlorine in PDB 7kng: 2.10A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (Ce-2 Y7F)

Enzymatic activity of 2.10A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (Ce-2 Y7F)

All present enzymatic activity of 2.10A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (Ce-2 Y7F):
5.4.2.12;

Protein crystallography data

The structure of 2.10A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (Ce-2 Y7F), PDB code: 7kng was solved by S.Lovell, M.M.Kashipathy, K.P.Battaile, M.Weidmann, P.Dranchak, M.Aitha, B.Queme, C.D.Collmus, L.Kanter, L.Lamy, D.Tao, G.Rai, H.Suga, J.Inglese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.69 / 2.10
Space group P 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 73.862, 75.471, 101.36, 90, 99.11, 90
R / Rfree (%) 16.7 / 22

Other elements in 7kng:

The structure of 2.10A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (Ce-2 Y7F) also contains other interesting chemical elements:

Zinc (Zn) 4 atoms
Sodium (Na) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 2.10A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (Ce-2 Y7F) (pdb code 7kng). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 2.10A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (Ce-2 Y7F), PDB code: 7kng:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7kng

Go back to Chlorine Binding Sites List in 7kng
Chlorine binding site 1 out of 4 in the 2.10A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (Ce-2 Y7F)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.10A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (Ce-2 Y7F) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:43.2
occ:1.00
 OD1 A:ASP178 2.8 26.9 1.0
CL A:CL602 2.9 46.4 1.0
NH2 A:ARG210 3.0 28.1 1.0
NE2 A:HIS147 3.3 25.5 1.0
CG A:ASP178 3.6 31.2 1.0
CD2 A:HIS147 3.6 23.0 1.0
OD2 A:ASP178 3.7 27.5 1.0
NH1 A:ARG210 3.7 26.5 1.0
CZ A:ARG210 3.7 24.1 1.0
CD A:ARG177 4.0 39.3 1.0
CG1 A:VAL146 4.4 26.4 1.0
CE1 A:HIS147 4.6 26.1 1.0
CG A:ARG177 4.7 38.8 1.0
NE A:ARG287 4.7 28.4 1.0
CB A:ARG177 4.8 33.6 1.0
CB A:VAL146 4.9 28.2 1.0
NE A:ARG210 4.9 26.6 1.0
CG A:HIS147 5.0 24.2 1.0

Chlorine binding site 2 out of 4 in 7kng

Go back to Chlorine Binding Sites List in 7kng
Chlorine binding site 2 out of 4 in the 2.10A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (Ce-2 Y7F)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.10A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (Ce-2 Y7F) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:46.4
occ:1.00
 CL A:CL601 2.9 43.2 1.0
NE A:ARG287 3.2 28.4 1.0
NH1 A:ARG216 3.3 42.7 1.0
NH2 A:ARG287 3.6 37.7 1.0
NE2 A:HIS147 3.6 25.5 1.0
CZ A:ARG287 3.9 34.8 1.0
NH2 A:ARG284 3.9 25.1 1.0
CZ A:ARG216 4.0 44.4 1.0
NH2 A:ARG216 4.0 42.4 1.0
NH2 A:ARG210 4.0 28.1 1.0
CD A:ARG287 4.3 27.5 1.0
CE1 A:HIS147 4.3 26.1 1.0
CZ A:ARG284 4.4 28.6 1.0
CD2 A:HIS147 4.8 23.0 1.0
NH1 A:ARG284 4.9 34.7 1.0
NE A:ARG284 4.9 25.1 1.0
CG A:ARG287 5.0 28.3 1.0

Chlorine binding site 3 out of 4 in 7kng

Go back to Chlorine Binding Sites List in 7kng
Chlorine binding site 3 out of 4 in the 2.10A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (Ce-2 Y7F)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.10A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (Ce-2 Y7F) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:48.8
occ:1.00
 OD1 B:ASP178 2.7 27.6 1.0
NH2 B:ARG210 2.9 27.1 1.0
CL B:CL602 3.3 57.4 1.0
OD2 B:ASP178 3.4 28.4 1.0
CG B:ASP178 3.4 29.2 1.0
NE2 B:HIS147 3.4 25.4 1.0
CZ B:ARG210 3.6 27.2 1.0
NH1 B:ARG210 3.6 27.6 1.0
CD2 B:HIS147 3.6 25.7 1.0
CG B:ARG177 4.0 39.1 1.0
CG1 B:VAL146 4.3 29.2 1.0
CE1 B:HIS147 4.6 30.7 1.0
CD B:ARG177 4.7 49.0 1.0
NE B:ARG210 4.8 26.0 1.0
NE B:ARG287 4.8 30.7 1.0
CB B:VAL146 4.8 23.4 1.0
CB B:ASP178 4.8 23.1 1.0
CB B:ARG177 4.9 38.4 1.0
CG B:HIS147 5.0 26.4 1.0

Chlorine binding site 4 out of 4 in 7kng

Go back to Chlorine Binding Sites List in 7kng
Chlorine binding site 4 out of 4 in the 2.10A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (Ce-2 Y7F)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.10A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (Ce-2 Y7F) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl602

b:57.4
occ:1.00
 NH1 B:ARG216 3.3 38.9 1.0
CL B:CL601 3.3 48.8 1.0
NH2 B:ARG287 3.4 30.7 1.0
NE B:ARG287 3.6 30.7 1.0
CZ B:ARG287 4.0 31.9 1.0
CZ B:ARG216 4.0 36.3 1.0
NH2 B:ARG216 4.0 38.5 1.0
NH2 B:ARG284 4.4 31.6 1.0
NH2 B:ARG210 4.4 27.1 1.0
NE2 B:HIS147 4.4 25.4 1.0
CD B:ARG287 4.8 24.5 1.0

Reference:

M.Weidmann, P.Dranchak, M.Aitha, B.Queme, C.D.Collmus, L.Kanter, L.Lamy, D.Tao, M.M.Kashipathy, K.P.Battaile, G.Rai, S.Lovell, H.Suga, J.Inglese. Structure-Activity Relationship of Ipglycermide Binding to Phosphoglycerate Mutases J.Biol.Chem. 2021.
ISSN: ESSN 1083-351X
Page generated: Mon Jul 29 23:38:56 2024

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