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Bromine in PDB 1zom: Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with A Peptidomimetic Inhibitor

Enzymatic activity of Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with A Peptidomimetic Inhibitor

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with A Peptidomimetic Inhibitor:
3.4.21.27;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with A Peptidomimetic Inhibitor, PDB code: 1zom was solved by J.Lin, H.Deng, L.Jin, P.Pandey, M.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) 28.50 / 2.25
Space group I 2 3
Cell size a, b, c (Å), α, β, γ (°) 120.932, 120.932, 120.932, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with A Peptidomimetic Inhibitor (pdb code 1zom). 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 Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with A Peptidomimetic Inhibitor, PDB code: 1zom:

Bromine binding site 1 out of 1 in 1zom

Go back to Bromine Binding Sites List in 1zom
Bromine binding site 1 out of 1 in the Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with A Peptidomimetic Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with A Peptidomimetic Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1001

b:60.2
occ:1.00
BR41 A:3391001 0.0 60.2 1.0
C38 A:3391001 1.9 54.1 1.0
C39 A:3391001 2.9 52.2 1.0
C37 A:3391001 2.9 53.5 1.0
O A:HOH1096 3.5 56.6 1.0
CB A:LYS192 3.7 25.4 1.0
CG A:LYS192 3.8 29.6 1.0
C11 A:3391001 3.9 37.8 1.0
S12 A:3391001 3.9 38.1 1.0
C40 A:3391001 4.2 51.1 1.0
C36 A:3391001 4.3 52.4 1.0
CD A:LYS192 4.4 32.3 1.0
OH A:TYR143 4.7 34.2 1.0
CE2 A:TYR143 4.8 29.6 1.0
C35 A:3391001 4.8 50.3 1.0
CZ A:TYR143 4.8 28.8 1.0
CA A:LYS192 4.9 22.7 1.0

Reference:

J.Lin, H.Deng, L.Jin, P.Pandey, J.Quinn, S.Cantin, M.J.Rynkiewicz, J.C.Gorga, F.Bibbins, C.A.Celatka, P.Nagafuji, T.D.Bannister, H.V.Meyers, R.E.Babine, N.J.Hayward, D.Weaver, H.Benjamin, F.Stassen, S.S.Abdel-Meguid, J.E.Strickler. Design, Synthesis, and Biological Evaluation of Peptidomimetic Inhibitors of Factor Xia As Novel Anticoagulants. J.Med.Chem. V. 49 7781 2006.
ISSN: ISSN 0022-2623
PubMed: 17181160
DOI: 10.1021/JM060978S
Page generated: Sat Dec 12 02:04:59 2020

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