Atomistry » Chlorine » PDB 5kgg-5kp3 » 5kgn
Atomistry »
  Chlorine »
    PDB 5kgg-5kp3 »
      5kgn »

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: Fri Jul 26 10:40:51 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy