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Chlorine in PDB 5kgn: 1.95A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (2D)

Enzymatic activity of 1.95A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (2D)

All present enzymatic activity of 1.95A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (2D):
5.4.2.12;

Protein crystallography data

The structure of 1.95A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (2D), PDB code: 5kgn was solved by S.Lovell, N.Mehzabeen, K.P.Battaile, H.Yu, P.Dranchak, R.Macarthur, Z.Li, T.Carlow, H.Suga, J.Inglese, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.49 / 1.95
Space group P 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 73.782, 75.832, 101.420, 90.00, 95.66, 90.00
R / Rfree (%) 15.4 / 20.4

Other elements in 5kgn:

The structure of 1.95A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (2D) also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Manganese (Mn) 2 atoms
Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.95A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (2D) (pdb code 5kgn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 1.95A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (2D), PDB code: 5kgn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5kgn

Go back to Chlorine Binding Sites List in 5kgn
Chlorine binding site 1 out of 2 in the 1.95A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (2D)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.95A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (2D) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:27.5
occ:1.00
 O A:HOH869 3.1 15.6 1.0
O A:HOH798 3.3 19.0 1.0
N A:ASN336 3.4 17.4 1.0
NH2 A:ARG97 3.4 17.0 1.0
CD A:ARG97 3.7 11.6 1.0
CA A:ASN336 3.8 17.6 1.0
N A:SER335 4.3 17.2 1.0
CB A:ALA334 4.3 19.9 1.0
CZ A:ARG97 4.4 12.6 1.0
NE A:ARG97 4.5 10.9 1.0
C A:SER335 4.5 22.0 1.0
OD1 A:ASN336 4.5 31.5 1.0
N A:LYS337 4.7 18.6 1.0
CD1 A:ILE99 4.7 34.6 1.0
C A:ALA334 4.7 22.0 1.0
CB A:ASN336 4.8 21.7 1.0
C A:ASN336 4.8 12.0 1.0
CA A:ALA334 4.8 17.9 1.0
CA A:SER335 4.8 23.4 1.0
CG A:ARG97 4.9 17.3 1.0
CB A:SER335 5.0 28.8 1.0

Chlorine binding site 2 out of 2 in 5kgn

Go back to Chlorine Binding Sites List in 5kgn
Chlorine binding site 2 out of 2 in the 1.95A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (2D)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.95A Resolution Structure of Independent Phosphoglycerate Mutase From C. Elegans in Complex with A Macrocyclic Peptide Inhibitor (2D) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl601

b:46.6
occ:1.00
 O B:HOH890 3.1 24.9 1.0
NH1 B:ARG97 3.4 17.7 1.0
O B:HOH848 3.4 22.5 1.0
N B:ASN336 3.6 27.8 1.0
CD B:ARG97 3.6 14.2 1.0
OD1 B:ASN336 3.8 40.8 1.0
CA B:ASN336 4.0 22.5 1.0
CZ B:ARG97 4.3 17.9 1.0
NE B:ARG97 4.4 15.2 1.0
N B:SER335 4.4 28.2 1.0
CB B:ALA334 4.6 31.4 1.0
C B:SER335 4.7 31.4 1.0
CG B:ASN336 4.8 38.0 1.0
CG B:ARG97 4.8 13.7 1.0
N B:LYS337 4.8 19.4 1.0
CD1 B:ILE99 4.8 32.9 1.0
C B:ASN336 4.9 18.8 1.0
CA B:SER335 5.0 31.3 1.0
CB B:ASN336 5.0 30.3 1.0

Reference:

H.Yu, P.Dranchak, Z.Li, R.Macarthur, M.S.Munson, N.Mehzabeen, N.J.Baird, K.P.Battalie, D.Ross, S.Lovell, C.K.Carlow, H.Suga, J.Inglese. Macrocycle Peptides Delineate Locked-Open Inhibition Mechanism For Microorganism Phosphoglycerate Mutases. Nat Commun V. 8 14932 2017.
ISSN: ESSN 2041-1723
PubMed: 28368002
DOI: 10.1038/NCOMMS14932
Page generated: Sat Dec 12 11:56:31 2020

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