Atomistry » Bromine » PDB 4i2a-4kk6 » 4i7p
Atomistry »
  Bromine »
    PDB 4i2a-4kk6 »
      4i7p »

Bromine in PDB 4i7p: T4 Lysozyme L99A/M102H with 4-Bromoimidazole Bound

Enzymatic activity of T4 Lysozyme L99A/M102H with 4-Bromoimidazole Bound

All present enzymatic activity of T4 Lysozyme L99A/M102H with 4-Bromoimidazole Bound:
3.2.1.17;

Protein crystallography data

The structure of T4 Lysozyme L99A/M102H with 4-Bromoimidazole Bound, PDB code: 4i7p was solved by M.Merski, B.K.Shoichet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.29 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.370, 75.400, 52.700, 90.00, 93.32, 90.00
R / Rfree (%) 17.9 / 20.4

Bromine Binding Sites:

The binding sites of Bromine atom in the T4 Lysozyme L99A/M102H with 4-Bromoimidazole Bound (pdb code 4i7p). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the T4 Lysozyme L99A/M102H with 4-Bromoimidazole Bound, PDB code: 4i7p:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 4i7p

Go back to Bromine Binding Sites List in 4i7p
Bromine binding site 1 out of 2 in the T4 Lysozyme L99A/M102H with 4-Bromoimidazole Bound


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of T4 Lysozyme L99A/M102H with 4-Bromoimidazole Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br202

b:11.3
occ:1.00
BR01 A:ES3202 0.0 11.3 1.0
C02 A:ES3202 1.9 8.6 1.0
N06 A:ES3202 2.8 8.9 1.0
C03 A:ES3202 2.9 8.3 1.0
O A:LEU84 3.5 6.9 1.0
N A:TYR88 3.8 6.0 1.0
CB A:ALA99 3.8 5.7 1.0
C05 A:ES3202 3.9 10.0 1.0
CB A:VAL87 4.0 8.5 1.0
CG1 A:VAL87 4.0 8.8 1.0
CB A:TYR88 4.0 6.1 1.0
N04 A:ES3202 4.0 6.0 1.0
CA A:TYR88 4.1 4.9 1.0
CB A:LEU84 4.1 7.1 1.0
CD2 A:LEU84 4.3 9.0 1.0
C A:LEU84 4.3 5.4 1.0
CA A:LEU84 4.3 6.8 1.0
C A:VAL87 4.4 7.2 1.0
CD2 A:LEU118 4.5 7.7 1.0
CG2 A:ILE78 4.6 7.1 1.0
CD1 A:TYR88 4.7 4.7 1.0
CG A:LEU84 4.7 7.6 1.0
CA A:VAL87 4.8 8.1 1.0
CD1 A:ILE78 4.8 6.0 1.0
CD1 A:LEU91 4.9 6.5 1.0
CG A:TYR88 4.9 4.3 1.0
CA A:ALA99 5.0 3.1 1.0
CG1 A:ILE78 5.0 2.6 1.0

Bromine binding site 2 out of 2 in 4i7p

Go back to Bromine Binding Sites List in 4i7p
Bromine binding site 2 out of 2 in the T4 Lysozyme L99A/M102H with 4-Bromoimidazole Bound


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of T4 Lysozyme L99A/M102H with 4-Bromoimidazole Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br202

b:11.0
occ:1.00
BR01 B:ES3202 0.0 11.0 1.0
C02 B:ES3202 1.9 9.0 1.0
N06 B:ES3202 2.8 8.7 1.0
C03 B:ES3202 2.9 9.4 1.0
O B:LEU84 3.5 7.0 1.0
N B:TYR88 3.7 5.3 1.0
CB B:ALA99 3.9 4.5 1.0
C05 B:ES3202 3.9 9.1 1.0
CG1 B:VAL87 4.0 8.7 1.0
CB B:TYR88 4.0 6.4 1.0
N04 B:ES3202 4.0 7.1 1.0
CA B:TYR88 4.0 5.8 1.0
CB B:VAL87 4.1 8.3 1.0
CB B:LEU84 4.1 7.8 1.0
CD2 B:LEU84 4.2 8.8 1.0
C B:LEU84 4.2 7.5 1.0
CA B:LEU84 4.2 7.5 1.0
C B:VAL87 4.4 5.1 1.0
CG2 B:ILE78 4.5 8.1 1.0
CD2 B:LEU118 4.6 12.0 1.0
CD1 B:TYR88 4.7 6.6 1.0
CG B:LEU84 4.7 7.2 1.0
CD1 B:LEU91 4.8 7.7 1.0
CA B:VAL87 4.8 7.8 1.0
CG B:TYR88 4.9 4.5 1.0
CD1 B:ILE78 4.9 4.7 1.0

Reference:

M.Merski, B.K.Shoichet. The Impact of Introducing A Histidine Into An Apolar Cavity Site on Docking and Ligand Recognition. J.Med.Chem. V. 56 2874 2013.
ISSN: ISSN 0022-2623
PubMed: 23473072
DOI: 10.1021/JM301823G
Page generated: Sat Dec 12 02:20:16 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy