Bromine in PDB 3fmd: Crystal Structure of Human Haspin with An Isoquinoline Ligand

All present enzymatic activity of Crystal Structure of Human Haspin with An Isoquinoline Ligand:
2.7.11.1;

The structure of Crystal Structure of Human Haspin with An Isoquinoline Ligand, PDB code: 3fmd was solved by P.Filippakopoulos, J.Eswaran, T.Keates, N.Burgess-Brown, O.Fedorov, A.C.W.Pike, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.510, 73.660, 87.740, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 28.3

The structure of Crystal Structure of Human Haspin with An Isoquinoline Ligand also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Bromine atom in the Crystal Structure of Human Haspin with An Isoquinoline Ligand (pdb code 3fmd). 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 Haspin with An Isoquinoline Ligand, PDB code: 3fmd:

Bromine binding site 1 out of 1 in the Crystal Structure of Human Haspin with An Isoquinoline Ligand


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 Haspin with An Isoquinoline Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1 b:24.5 occ:1.00 BR4' A:IQB1 0.0 24.5 1.0 C4' A:IQB1 1.9 16.6 1.0 C3B A:IQB1 2.8 22.1 1.0 C5B A:IQB1 2.9 23.2 1.0 OE1 A:GLN718 3.2 14.1 1.0 O A:HOH19 3.6 22.1 1.0 ND1 A:HIS651 3.7 14.8 1.0 CG A:HIS651 3.7 8.7 1.0 O A:HOH56 3.8 9.1 1.0 CD A:GLN718 3.9 8.1 1.0 O A:HOH131 4.0 15.3 1.0 NE2 A:GLN718 4.0 4.2 1.0 CB A:HIS651 4.1 7.6 1.0 CD1 A:TRP652 4.1 15.4 1.0 CE1 A:HIS651 4.1 23.2 1.0 C2B A:IQB1 4.1 31.0 1.0 C6B A:IQB1 4.1 12.9 1.0 NE1 A:TRP652 4.2 10.8 1.0 CD2 A:HIS651 4.3 9.2 1.0 NE2 A:HIS651 4.5 4.3 1.0 C1' A:IQB1 4.7 15.9 1.0 O A:HOH431 4.7 32.4 1.0 N A:GLY653 4.8 11.1 1.0 OH A:TYR747 4.8 2.7 1.0

P.Filippakopoulos, J.Eswaran, T.Keates, N.Burgess-Brown, O.Fedorov, A.C.W.Pike, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, S.Knapp. Crystal Structure of Human Haspin with An Isoquinoline Ligand To Be Published.