Atomistry » Chlorine » PDB 5m86-5mge » 5mfs
Atomistry »
  Chlorine »
    PDB 5m86-5mge »
      5mfs »

Chlorine in PDB 5mfs: The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One

Enzymatic activity of The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One

All present enzymatic activity of The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One:
3.4.11.2;

Protein crystallography data

The structure of The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One, PDB code: 5mfs was solved by G.Peng, V.Olieric, A.G.Mcewen, C.Schmitt, S.Albrecht, J.Cavarelli, C.Tarnus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 89.20 / 1.57
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 120.827, 120.827, 170.628, 90.00, 90.00, 120.00
R / Rfree (%) 11.3 / 13.9

Other elements in 5mfs:

The structure of The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One also contains other interesting chemical elements:

Zinc (Zn) 1 atom
Sodium (Na) 9 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One (pdb code 5mfs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One, PDB code: 5mfs:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5mfs

Go back to Chlorine Binding Sites List in 5mfs
Chlorine binding site 1 out of 4 in the The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1022

b:50.8
occ:1.00
 O A:HOH1749 2.3 28.3 1.0
H A:ASP216 2.4 21.4 0.3
H A:ASP216 2.4 21.4 0.7
HB2 A:ASP216 2.8 28.3 0.3
HD11 A:LEU277 3.1 24.6 1.0
HD22 A:ASN219 3.1 40.2 1.0
HB3 A:ALA254 3.1 16.4 1.0
N A:ASP216 3.3 17.8 1.0
HG A:SER273 3.3 20.5 0.6
HB2 A:ASP216 3.4 26.9 0.7
HA A:VAL215 3.4 17.9 1.0
HB A:VAL215 3.5 18.8 1.0
HB1 A:ALA254 3.5 16.4 1.0
OG A:SER273 3.6 17.1 0.6
HD21 A:LEU277 3.6 23.2 1.0
O A:ALA254 3.6 17.4 1.0
HB3 A:SER273 3.6 15.2 0.4
CG A:ASP216 3.7 24.0 0.7
CB A:ASP216 3.7 23.6 0.3
CB A:ALA254 3.7 13.7 1.0
ND2 A:ASN219 3.8 33.5 1.0
CB A:ASP216 3.9 22.5 0.7
HB2 A:SER273 3.9 15.2 0.4
OD2 A:ASP216 3.9 27.1 0.7
OD1 A:ASP216 4.0 23.8 0.7
HB3 A:ASP216 4.0 28.3 0.3
HD21 A:ASN219 4.0 40.2 1.0
CA A:VAL215 4.0 15.0 1.0
CD1 A:LEU277 4.0 20.5 1.0
H32 A:GOL1033 4.1 41.5 1.0
CA A:ASP216 4.1 21.0 0.3
C A:VAL215 4.1 15.6 1.0
CB A:VAL215 4.1 15.7 1.0
CA A:ASP216 4.2 20.3 0.7
HB3 A:SER273 4.2 17.8 0.6
HG12 A:VAL215 4.2 17.9 1.0
CB A:SER273 4.2 12.7 0.4
C A:ALA254 4.2 13.8 1.0
OD1 A:ASP256 4.3 23.1 1.0
CD2 A:LEU277 4.4 19.3 1.0
HB2 A:ALA254 4.4 16.4 1.0
CB A:SER273 4.5 14.8 0.6
HD13 A:LEU277 4.5 24.6 1.0
O1 A:GOL1033 4.5 30.4 1.0
HG A:LEU277 4.5 22.0 1.0
HD12 A:LEU277 4.5 24.6 1.0
CG A:LEU277 4.6 18.4 1.0
HA A:ASP216 4.6 25.2 0.3
CA A:ALA254 4.7 12.2 1.0
HB2 A:ASN219 4.7 31.7 1.0
HA A:VAL255 4.7 16.5 1.0
HG A:SER273 4.7 15.6 0.4
CG1 A:VAL215 4.7 14.9 1.0
HA A:ASP216 4.8 24.4 0.7
HB3 A:ASP216 4.8 26.9 0.7
HO1 A:GOL1033 4.8 36.5 1.0
CG A:ASP216 4.8 25.8 0.3
HD22 A:LEU277 4.8 23.2 1.0
CG A:ASN219 4.9 31.4 1.0
HA A:SER273 4.9 15.7 0.6
O A:HOH2153 4.9 54.9 1.0

Chlorine binding site 2 out of 4 in 5mfs

Go back to Chlorine Binding Sites List in 5mfs
Chlorine binding site 2 out of 4 in the The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1023

b:39.1
occ:1.00
 H A:LEU619 2.2 18.2 1.0
O A:HOH1578 2.7 20.7 1.0
O A:HOH1840 2.8 24.7 1.0
HA A:THR618 2.9 19.1 1.0
O A:HOH1730 2.9 26.3 1.0
HG A:LEU619 3.0 22.8 1.0
HD2 A:ARG686 3.0 35.8 1.0
N A:LEU619 3.0 15.2 1.0
HB2 A:LEU619 3.3 21.4 1.0
O A:LEU617 3.7 19.8 1.0
HH11 A:ARG686 3.7 33.7 1.0
HH22 A:ARG641 3.7 27.1 1.0
CA A:THR618 3.7 15.9 1.0
CG A:LEU619 3.8 19.0 1.0
CB A:LEU619 3.8 17.8 1.0
C A:THR618 3.9 15.7 1.0
HG23 A:THR618 3.9 21.5 1.0
CD A:ARG686 3.9 29.8 1.0
HD12 A:LEU619 3.9 24.7 1.0
CA A:LEU619 4.0 15.3 1.0
HD3 A:ARG686 4.0 35.8 1.0
HZ A:PHE687 4.1 22.1 1.0
NH2 A:ARG641 4.2 22.6 1.0
NH1 A:ARG686 4.2 28.1 1.0
CZ A:PHE687 4.3 18.4 1.0
HB2 A:ARG686 4.3 26.7 1.0
CD1 A:LEU619 4.4 20.6 1.0
HH21 A:ARG641 4.4 27.1 1.0
HB3 A:ARG686 4.5 26.7 1.0
HE2 A:PHE687 4.5 22.8 1.0
CE2 A:PHE687 4.5 19.0 1.0
C A:LEU617 4.5 17.1 1.0
CG2 A:THR618 4.6 17.9 1.0
N A:THR618 4.6 16.0 1.0
HG22 A:THR618 4.6 21.5 1.0
HH12 A:ARG641 4.6 27.1 1.0
NE A:ARG686 4.6 30.3 1.0
O A:HOH2105 4.6 45.9 1.0
CB A:THR618 4.7 16.3 1.0
HH12 A:ARG686 4.7 33.7 1.0
O A:LEU619 4.7 15.9 1.0
HA A:LEU619 4.7 18.4 1.0
HB3 A:LEU619 4.7 21.4 1.0
CZ A:ARG686 4.7 31.9 1.0
HD11 A:LEU619 4.8 24.7 1.0
CB A:ARG686 4.8 22.3 1.0
C A:LEU619 4.8 15.8 1.0
CE1 A:PHE687 4.9 17.9 1.0
CZ A:ARG641 4.9 20.8 1.0
CG A:ARG686 4.9 26.9 1.0

Chlorine binding site 3 out of 4 in 5mfs

Go back to Chlorine Binding Sites List in 5mfs
Chlorine binding site 3 out of 4 in the The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1024

b:64.5
occ:1.00
 H A:ASP801 2.4 31.4 1.0
HB1 A:ALA799 2.8 26.0 1.0
O A:HOH1870 2.9 33.9 1.0
H A:GLU800 3.0 28.7 0.6
H A:GLU800 3.0 28.7 0.5
O A:HOH2464 3.0 53.6 1.0
N A:ASP801 3.1 26.1 1.0
HB3 A:ASP801 3.2 33.6 1.0
N A:GLU800 3.3 23.9 1.0
HB2 A:GLU800 3.4 34.4 0.5
CG A:ASP801 3.4 28.9 1.0
OD1 A:ASP801 3.6 26.2 1.0
OD2 A:ASP801 3.6 30.7 1.0
CB A:ASP801 3.6 28.0 1.0
HB2 A:GLU800 3.7 35.8 0.6
CB A:ALA799 3.7 21.7 1.0
O A:HOH1892 3.8 51.8 1.0
C A:ALA799 3.9 21.1 1.0
CA A:GLU800 4.0 26.0 0.5
C A:GLU800 4.0 26.6 1.0
CA A:ASP801 4.0 26.7 1.0
CA A:GLU800 4.0 26.4 0.6
HA A:ALA799 4.1 24.4 1.0
CB A:GLU800 4.1 28.7 0.5
CA A:ALA799 4.1 20.4 1.0
HB3 A:ALA799 4.2 26.0 1.0
HB2 A:ALA799 4.3 26.0 1.0
HG3 A:GLU800 4.3 37.3 0.5
CB A:GLU800 4.3 29.9 0.6
O A:HOH1894 4.5 62.6 1.0
HA A:ASP801 4.6 32.0 1.0
HB2 A:ASP801 4.6 33.6 1.0
O A:ALA799 4.7 19.8 1.0
CG A:GLU800 4.8 31.1 0.5
HB3 A:GLU800 4.8 34.4 0.5
O A:HOH1513 4.9 54.9 1.0
HG A:SER803 4.9 25.6 1.0
HB3 A:GLU800 4.9 35.8 0.6
HA A:GLU800 4.9 31.2 0.5
H A:GLY802 4.9 26.9 1.0
HA A:GLU800 4.9 31.6 0.6

Chlorine binding site 4 out of 4 in 5mfs

Go back to Chlorine Binding Sites List in 5mfs
Chlorine binding site 4 out of 4 in the The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1025

b:59.5
occ:1.00
 H A:GLN32 2.5 21.8 1.0
H A:ALA31 2.8 18.9 1.0
O A:HOH2004 3.0 23.8 1.0
O A:HOH1426 3.0 20.2 1.0
HB3 A:ALA31 3.1 22.8 1.0
HG2 A:GLN32 3.1 34.0 1.0
N A:ALA31 3.4 15.8 1.0
N A:GLN32 3.4 18.1 1.0
O A:HOH2462 3.5 48.1 0.6
O A:HOH2171 3.5 48.9 1.0
HB2 A:GLN32 3.6 26.9 1.0
CB A:ALA31 3.9 19.0 1.0
CB A:ASP30 3.9 30.3 1.0
CG A:GLN32 3.9 28.3 1.0
CA A:ALA31 4.0 16.2 1.0
HA A:ASP30 4.0 23.1 1.0
O A:HOH2679 4.1 29.2 1.0
CB A:GLN32 4.1 22.4 1.0
C A:ASP30 4.1 16.7 1.0
C A:ALA31 4.2 17.8 1.0
HB2 A:ALA31 4.3 22.8 1.0
CA A:ASP30 4.3 19.2 1.0
HG3 A:GLN32 4.3 34.0 1.0
H A:LYS33 4.3 20.2 0.6
H A:LYS33 4.3 20.2 0.4
CA A:GLN32 4.3 19.2 1.0
HE21 A:GLN32 4.6 43.0 1.0
HB1 A:ALA31 4.7 22.8 1.0
O A:HOH2661 4.7 42.5 1.0
H12 A:DMS1020 4.7 90.2 1.0
HA A:ALA31 4.9 19.4 1.0

Reference:

G.Peng, A.G.Mcewen, V.Olieric, C.Schmitt, S.Albrecht, J.Cavarelli, C.Tarnus. Insight Into the Remarkable Affinity and Selectivity of the Aminobenzosuberone Scaffold For the M1 Aminopeptidases Family Based on Structure Analysis. Proteins V. 85 1413 2017.
ISSN: ESSN 1097-0134
PubMed: 28383176
DOI: 10.1002/PROT.25301
Page generated: Sat Jul 12 05:27:48 2025

Last articles

Mg in 6W4E
Mg in 6W6K
Mg in 6W4X
Mg in 6W35
Mg in 6W26
Mg in 6W43
Mg in 6W2Y
Mg in 6W17
Mg in 6W30
Mg in 6W2X
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy