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Bromine in PDB 1zpz: Factor XI Catalytic Domain Complexed with N-((R)-1-(4- Bromophenyl)Ethyl)Urea-Asn-Val-Arg-Alpha-Ketothiazole

Enzymatic activity of Factor XI Catalytic Domain Complexed with N-((R)-1-(4- Bromophenyl)Ethyl)Urea-Asn-Val-Arg-Alpha-Ketothiazole

All present enzymatic activity of Factor XI Catalytic Domain Complexed with N-((R)-1-(4- Bromophenyl)Ethyl)Urea-Asn-Val-Arg-Alpha-Ketothiazole:
3.4.21.27;

Protein crystallography data

The structure of Factor XI Catalytic Domain Complexed with N-((R)-1-(4- Bromophenyl)Ethyl)Urea-Asn-Val-Arg-Alpha-Ketothiazole, PDB code: 1zpz was solved by J.Lin, H.Deng, L.Jin, P.Prandey, M.J.Rynkiewicz, F.Bibbins, S.Cantin, J.Quinn, S.Magee, J.Gorga, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.06 / 2.50
Space group P 32
Cell size a, b, c (Å), α, β, γ (°) 41.937, 41.937, 103.872, 90.00, 90.00, 120.00
R / Rfree (%) n/a / n/a

Bromine Binding Sites:

The binding sites of Bromine atom in the Factor XI Catalytic Domain Complexed with N-((R)-1-(4- Bromophenyl)Ethyl)Urea-Asn-Val-Arg-Alpha-Ketothiazole (pdb code 1zpz). 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 Factor XI Catalytic Domain Complexed with N-((R)-1-(4- Bromophenyl)Ethyl)Urea-Asn-Val-Arg-Alpha-Ketothiazole, PDB code: 1zpz:

Bromine binding site 1 out of 1 in 1zpz

Go back to Bromine Binding Sites List in 1zpz
Bromine binding site 1 out of 1 in the Factor XI Catalytic Domain Complexed with N-((R)-1-(4- Bromophenyl)Ethyl)Urea-Asn-Val-Arg-Alpha-Ketothiazole


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Factor XI Catalytic Domain Complexed with N-((R)-1-(4- Bromophenyl)Ethyl)Urea-Asn-Val-Arg-Alpha-Ketothiazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br900

b:15.0
occ:1.00
 BR A:BUK900 0.0 15.0 1.0
C39 A:BUK900 1.9 15.0 1.0
C40 A:BUK900 2.8 15.0 1.0
C38 A:BUK900 2.9 15.0 1.0
CG A:LYS192 3.7 15.0 1.0
CB A:LYS192 3.8 15.0 1.0
S16 A:BUK900 4.1 15.0 1.0
CD A:LYS192 4.1 15.0 1.0
C41 A:BUK900 4.2 15.0 1.0
C37 A:BUK900 4.2 15.0 1.0
C15 A:BUK900 4.3 15.0 1.0
OH A:TYR143 4.7 15.0 1.0
C36 A:BUK900 4.7 15.0 1.0
CE A:LYS192 4.7 15.0 1.0

Reference:

J.Lin, H.Deng, L.Jin, P.Prandey, M.J.Rynkiewicz, F.Bibbins, S.Cantin, J.Quinn, S.Magee, J.Gorga. Design, Synthesis and Biological Evaluation of Peptidomimetic Fxia Inhibitors To Be Published.
Page generated: Wed Jul 10 17:42:33 2024

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