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Bromine in PDB 5n5l: Crystal Structure of Human Pim-1 Kinase in Complex with A Consensuspeptide and [2-Oxo-2-(1H-Pyrrol-2-Yl)Ethyl] 5-Bromo-1H- Indole-3-Carboxylate

Enzymatic activity of Crystal Structure of Human Pim-1 Kinase in Complex with A Consensuspeptide and [2-Oxo-2-(1H-Pyrrol-2-Yl)Ethyl] 5-Bromo-1H- Indole-3-Carboxylate

All present enzymatic activity of Crystal Structure of Human Pim-1 Kinase in Complex with A Consensuspeptide and [2-Oxo-2-(1H-Pyrrol-2-Yl)Ethyl] 5-Bromo-1H- Indole-3-Carboxylate:
2.7.11.1;

Protein crystallography data

The structure of Crystal Structure of Human Pim-1 Kinase in Complex with A Consensuspeptide and [2-Oxo-2-(1H-Pyrrol-2-Yl)Ethyl] 5-Bromo-1H- Indole-3-Carboxylate, PDB code: 5n5l was solved by C.Siefker, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.84 / 1.97
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 97.670, 97.670, 80.329, 90.00, 90.00, 120.00
R / Rfree (%) 16 / 19.5

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Human Pim-1 Kinase in Complex with A Consensuspeptide and [2-Oxo-2-(1H-Pyrrol-2-Yl)Ethyl] 5-Bromo-1H- Indole-3-Carboxylate (pdb code 5n5l). 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 Human Pim-1 Kinase in Complex with A Consensuspeptide and [2-Oxo-2-(1H-Pyrrol-2-Yl)Ethyl] 5-Bromo-1H- Indole-3-Carboxylate, PDB code: 5n5l:

Bromine binding site 1 out of 1 in 5n5l

Go back to Bromine Binding Sites List in 5n5l
Bromine binding site 1 out of 1 in the Crystal Structure of Human Pim-1 Kinase in Complex with A Consensuspeptide and [2-Oxo-2-(1H-Pyrrol-2-Yl)Ethyl] 5-Bromo-1H- Indole-3-Carboxylate


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 Human Pim-1 Kinase in Complex with A Consensuspeptide and [2-Oxo-2-(1H-Pyrrol-2-Yl)Ethyl] 5-Bromo-1H- Indole-3-Carboxylate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:60.1
occ:0.86
 BR A:8NZ401 0.0 60.1 0.9
C8 A:8NZ401 1.9 44.0 0.9
C9 A:8NZ401 2.8 38.6 0.9
C7 A:8NZ401 2.9 34.6 0.9
CD1 A:LEU174 3.6 31.4 1.0
CG A:ARG122 3.7 37.0 1.0
CB A:ALA65 3.8 30.9 1.0
CB A:ARG122 4.0 33.7 1.0
CD A:PRO123 4.1 42.1 1.0
CA A:ARG122 4.1 36.4 1.0
C10 A:8NZ401 4.1 31.3 0.9
CD A:ARG122 4.1 43.6 1.0
C6 A:8NZ401 4.2 29.1 0.9
CD1 A:LEU44 4.5 41.2 1.0
C5 A:8NZ401 4.6 32.8 0.9
O A:GLU121 4.7 55.9 1.0
N A:PRO123 4.9 38.5 1.0
C A:ARG122 4.9 39.5 1.0

Reference:

C.Siefker, A.Heine, C.Taylor, P.Kolb, K.Hardes, A.Steinmetzer, G.Klebe. A Crystallographic Fragment Study with Human Pim-1 Kinase To Be Published.
Page generated: Thu Jul 11 00:25:27 2024

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