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Bromine 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
Chlorine (Cl) 2 atoms
Sodium (Na) 6 atoms

Bromine Binding Sites:

The binding sites of Bromine 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 Bromine atom.
In total only one binding site of Bromine was 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:

Bromine binding site 1 out of 1 in 5mft

Go back to Bromine Binding Sites List in 5mft
Bromine binding site 1 out of 1 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 Bromine with other atoms in the Br 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:Br1002

b:17.3
occ:0.75
 BR1 A:7MF1002 0.0 17.3 0.8
C1 A:7MF1002 1.9 16.0 1.0
H12 A:7MF1002 2.6 16.9 1.0
HE2 A:MET260 2.6 27.6 0.2
HG2 A:MET260 2.8 27.3 0.8
C2 A:7MF1002 2.8 16.7 1.0
C6 A:7MF1002 2.9 13.2 1.0
H4 A:7MF1002 2.9 20.0 1.0
HB3 A:MET260 3.0 22.2 0.2
HE3 A:MET260 3.0 27.6 0.2
HB3 A:TYR376 3.0 12.8 1.0
HH21 A:ARG825 3.0 32.3 0.6
C13 A:7MF1002 3.2 14.0 1.0
CE A:MET260 3.2 23.0 0.2
HE3 A:MET260 3.5 30.9 0.8
HB3 A:MET260 3.5 22.4 0.8
HB2 A:TYR376 3.5 12.8 1.0
HA A:MET260 3.6 18.0 0.8
NH2 A:ARG825 3.6 26.9 0.6
HH22 A:ARG825 3.6 32.3 0.6
CB A:TYR376 3.6 10.6 1.0
HD2 A:TYR376 3.6 12.9 1.0
HE2 A:MET260 3.7 30.9 0.8
CG A:MET260 3.7 22.7 0.8
O A:HOH2091 3.7 33.8 0.8
HE1 A:MET260 3.8 27.6 0.2
CB A:MET260 3.9 18.5 0.2
CB A:MET260 3.9 18.7 0.8
H11 A:7MF1002 4.0 16.9 1.0
O A:HOH2000 4.0 32.4 0.2
CE A:MET260 4.0 25.7 0.8
CD2 A:TYR376 4.0 10.8 1.0
CG A:TYR376 4.0 10.4 1.0
H16 A:7MF1002 4.0 15.5 1.0
C3 A:7MF1002 4.1 15.5 1.0
O A:MET260 4.1 16.4 0.8
HB2 A:MET260 4.1 22.2 0.2
C5 A:7MF1002 4.2 13.2 1.0
CA A:MET260 4.2 15.0 0.8
C15 A:7MF1002 4.2 12.9 1.0
HG3 A:MET260 4.2 25.9 0.2
HG3 A:MET260 4.3 27.3 0.8
O A:HOH2236 4.3 50.3 1.0
HH12 A:ARG825 4.3 41.1 0.4
CG A:MET260 4.4 21.6 0.2
H15 A:7MF1002 4.4 15.5 1.0
O A:HOH2091 4.5 15.8 0.2
C A:MET260 4.5 15.3 0.8
HH11 A:ARG825 4.6 41.1 0.4
HA A:MET260 4.6 18.6 0.2
SD A:MET260 4.6 24.2 0.2
NH1 A:ARG825 4.6 34.3 0.4
C4 A:7MF1002 4.7 14.6 1.0
SD A:MET260 4.7 23.7 0.8
CZ A:ARG825 4.7 30.1 0.6
O9 A:MLI1021 4.8 52.8 1.0
OH A:TYR381 4.8 11.9 1.0
O A:HOH2340 4.8 64.2 1.0
O A:TYR376 4.8 13.2 1.0
HE A:ARG825 4.8 36.6 0.6
HE1 A:MET260 4.8 30.9 0.8
HB2 A:MET260 4.9 22.4 0.8
CA A:MET260 4.9 15.5 0.2
HH A:TYR381 4.9 14.3 1.0
H5 A:7MF1002 4.9 18.6 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: Thu Jul 11 00:19:09 2024

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