Atomistry » Chlorine » PDB 5m7z-5mgd » 5mfs
Atomistry »
  Chlorine »
    PDB 5m7z-5mgd »
      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: Fri Jul 26 12:39:24 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy