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Chlorine in PDB 5mft: The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-1-Bromo-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-1-Bromo-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-1-Bromo-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-1-Bromo-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One, PDB code: 5mft 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) 60.33 / 1.59
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 120.651, 120.651, 170.676, 90.00, 90.00, 120.00
R / Rfree (%) 11.1 / 13.9

Other elements in 5mft:

The structure of The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-1-Bromo-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One also contains other interesting chemical elements:

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

Chlorine binding site 1 out of 2 in 5mft

Go back to Chlorine Binding Sites List in 5mft
Chlorine binding site 1 out of 2 in the The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-1-Bromo-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-1-Bromo-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1019

b:50.7
occ:1.00
 O A:HOH1698 2.3 32.3 1.0
H A:ASP216 2.4 21.7 1.0
HD22 A:ASN219 2.9 44.7 1.0
HD11 A:LEU277 3.0 23.7 1.0
HB3 A:ALA254 3.2 15.4 1.0
HG A:SER273 3.3 18.5 0.6
N A:ASP216 3.3 18.1 1.0
HB2 A:ASP216 3.4 29.6 1.0
HA A:VAL215 3.4 17.3 1.0
HB A:VAL215 3.4 16.7 1.0
HB1 A:ALA254 3.5 15.4 1.0
OG A:SER273 3.6 15.4 0.6
HB3 A:SER273 3.6 15.6 0.4
HD21 A:LEU277 3.6 24.0 1.0
O A:ALA254 3.6 16.5 1.0
ND2 A:ASN219 3.7 37.3 1.0
CG A:ASP216 3.8 28.6 1.0
CB A:ALA254 3.8 12.8 1.0
HD21 A:ASN219 3.9 44.7 1.0
CB A:ASP216 3.9 24.6 1.0
HB2 A:SER273 3.9 15.6 0.4
CD1 A:LEU277 4.0 19.7 1.0
OD2 A:ASP216 4.0 30.6 1.0
CA A:VAL215 4.0 14.4 1.0
HB3 A:SER273 4.1 17.0 0.6
OD1 A:ASP216 4.1 29.2 1.0
CB A:VAL215 4.1 13.9 1.0
C A:VAL215 4.1 16.0 1.0
C A:ALA254 4.2 13.9 1.0
CA A:ASP216 4.2 21.5 1.0
CB A:SER273 4.2 13.0 0.4
HG12 A:VAL215 4.3 17.2 1.0
OD1 A:ASP256 4.3 22.1 1.0
CB A:SER273 4.4 14.2 0.6
HD13 A:LEU277 4.4 23.7 1.0
CD2 A:LEU277 4.4 20.0 1.0
HD12 A:LEU277 4.5 23.7 1.0
HB2 A:ALA254 4.5 15.4 1.0
HG A:LEU277 4.5 21.1 1.0
CG A:LEU277 4.6 17.6 1.0
HB2 A:ASN219 4.6 33.9 1.0
HA A:VAL255 4.6 15.1 1.0
CA A:ALA254 4.6 12.2 1.0
O A:HOH1446 4.7 24.7 1.0
CG1 A:VAL215 4.7 14.3 1.0
HG A:SER273 4.7 15.6 0.4
CG A:ASN219 4.8 33.8 1.0
O A:HOH2138 4.8 56.9 1.0
HA A:ASP216 4.8 25.8 1.0
HB3 A:ASP216 4.8 29.6 1.0
HD22 A:LEU277 4.8 24.0 1.0
HB3 A:ASN219 4.9 33.9 1.0
HA A:SER273 4.9 15.5 0.6
N A:VAL255 4.9 13.0 1.0

Chlorine binding site 2 out of 2 in 5mft

Go back to Chlorine Binding Sites List in 5mft
Chlorine binding site 2 out of 2 in the The Crystal Structure of E. Coli Aminopeptidase N in Complex with 7- Amino-1-Bromo-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-1-Bromo-4-Phenyl-5,7,8,9-Tetrahydrobenzocyclohepten-6-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1020

b:59.3
occ:1.00
 H A:GLN32 2.5 21.0 1.0
O A:HOH2131 2.8 22.4 1.0
H A:ALA31 2.8 20.2 1.0
O A:HOH1490 3.1 20.9 1.0
HG2 A:GLN32 3.1 35.5 1.0
HB3 A:ALA31 3.2 23.3 1.0
N A:GLN32 3.3 17.5 1.0
N A:ALA31 3.3 16.9 1.0
HB2 A:GLN32 3.6 28.3 1.0
O A:HOH2273 3.6 47.8 1.0
CB A:ASP30 3.8 29.4 1.0
CG A:GLN32 3.9 29.6 1.0
CB A:ALA31 3.9 19.4 1.0
CA A:ALA31 4.0 16.9 1.0
HA A:ASP30 4.0 21.3 1.0
CB A:GLN32 4.1 23.6 1.0
O A:HOH2385 4.1 68.2 1.0
C A:ASP30 4.1 16.6 1.0
O A:HOH2186 4.1 26.9 1.0
C A:ALA31 4.1 17.1 1.0
CA A:ASP30 4.2 17.8 1.0
H A:LYS33 4.2 19.7 0.6
H A:LYS33 4.2 19.7 0.4
CA A:GLN32 4.3 20.1 1.0
HG3 A:GLN32 4.3 35.5 1.0
HB2 A:ALA31 4.3 23.3 1.0
O A:HOH2564 4.7 46.3 1.0
HB1 A:ALA31 4.7 23.3 1.0
HE21 A:GLN32 4.7 44.5 1.0
HA A:ALA31 4.9 20.3 1.0
N A:LYS33 4.9 16.4 1.0
HA A:GLN32 5.0 24.1 1.0
HB3 A:GLN32 5.0 28.3 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 12:39:38 2024

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