Bromine in PDB 7u1b: Crystal Structure of Estg in Complex with Tantalum Cluster

The structure of Crystal Structure of Estg in Complex with Tantalum Cluster, PDB code: 7u1b was solved by Z.Chen, S.B.Gabelli, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.96 / 2.62
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	111.765, 111.765, 57.429, 90, 90, 90
R / Rfree (%)	19 / 23.4

The structure of Crystal Structure of Estg in Complex with Tantalum Cluster also contains other interesting chemical elements:

Tantalum

(Ta)

6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of Estg in Complex with Tantalum Cluster (pdb code 7u1b). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 12 binding sites of Bromine where determined in the Crystal Structure of Estg in Complex with Tantalum Cluster, PDB code: 7u1b:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 12 in the Crystal Structure of Estg in Complex with Tantalum Cluster


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 Estg in Complex with Tantalum Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:326.3 occ:1.00 BR1 A:TBR601 0.0 326.3 1.0 TA2 A:TBR601 2.6 412.2 1.0 TA1 A:TBR601 2.6 408.6 1.0 OD1 A:ASP51 2.8 87.9 1.0 BRC A:TBR601 3.6 348.1 1.0 BR4 A:TBR601 3.6 314.8 1.0 CG A:ASP51 3.7 85.9 1.0 BR5 A:TBR601 3.7 314.6 1.0 CA A:ASP51 3.7 65.7 1.0 BR2 A:TBR601 3.7 331.0 1.0 CB A:ASP51 4.1 76.0 1.0 TA6 A:TBR601 4.2 420.6 1.0 TA3 A:TBR601 4.2 417.8 1.0 CB A:GLN54 4.2 66.4 1.0 O A:ASP51 4.4 65.8 1.0 CG A:GLN54 4.4 64.4 1.0 N A:ASP51 4.5 61.3 1.0 C A:ASP51 4.6 64.6 1.0 OD2 A:ASP51 4.7 90.0 1.0 O A:ASP50 5.0 63.5 1.0

Bromine binding site 2 out of 12 in the Crystal Structure of Estg in Complex with Tantalum Cluster


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Estg in Complex with Tantalum Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:331.0 occ:1.00 BR2 A:TBR601 0.0 331.0 1.0 OD1 A:ASP51 2.4 87.9 1.0 TA1 A:TBR601 2.6 408.6 1.0 TA3 A:TBR601 2.6 417.8 1.0 CG A:ASP51 3.4 85.9 1.0 BR6 A:TBR601 3.6 312.5 1.0 BR3 A:TBR601 3.7 312.6 1.0 BR5 A:TBR601 3.7 314.6 1.0 BR1 A:TBR601 3.7 326.3 1.0 OD2 A:ASP51 3.9 90.0 1.0 CD A:LYS47 4.0 114.6 1.0 CG A:LYS47 4.0 100.5 1.0 O A:LYS47 4.2 59.6 1.0 CB A:LYS47 4.2 82.0 1.0 TA5 A:TBR601 4.2 416.9 1.0 TA2 A:TBR601 4.2 412.2 1.0 CB A:ASP51 4.6 76.0 1.0 N A:ASP51 4.7 61.3 1.0 CA A:ASP51 4.7 65.7 1.0 CB A:ASP50 4.8 82.2 1.0 C A:LYS47 4.9 61.8 1.0 CA A:LYS47 4.9 66.6 1.0

Bromine binding site 3 out of 12 in the Crystal Structure of Estg in Complex with Tantalum Cluster


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Estg in Complex with Tantalum Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:312.6 occ:1.00 BR3 A:TBR601 0.0 312.6 1.0 TA1 A:TBR601 2.6 408.6 1.0 TA5 A:TBR601 2.6 416.9 1.0 BRB A:TBR601 3.5 309.3 1.0 BR4 A:TBR601 3.6 314.8 1.0 BR2 A:TBR601 3.7 331.0 1.0 BR6 A:TBR601 3.7 312.5 1.0 TA6 A:TBR601 4.2 420.6 1.0 TA3 A:TBR601 4.3 417.8 1.0 OD1 A:ASP51 4.7 87.9 1.0

Bromine binding site 4 out of 12 in the Crystal Structure of Estg in Complex with Tantalum Cluster


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Estg in Complex with Tantalum Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:314.8 occ:1.00 BR4 A:TBR601 0.0 314.8 1.0 TA6 A:TBR601 2.6 420.6 1.0 TA1 A:TBR601 2.6 408.6 1.0 BR3 A:TBR601 3.6 312.6 1.0 BRB A:TBR601 3.6 309.3 1.0 BR1 A:TBR601 3.6 326.3 1.0 BRC A:TBR601 3.7 348.1 1.0 TA5 A:TBR601 4.2 416.9 1.0 TA2 A:TBR601 4.2 412.2 1.0 OD1 A:ASP51 4.9 87.9 1.0

Bromine binding site 5 out of 12 in the Crystal Structure of Estg in Complex with Tantalum Cluster


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of Estg in Complex with Tantalum Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:314.6 occ:1.00 BR5 A:TBR601 0.0 314.6 1.0 TA2 A:TBR601 2.6 412.2 1.0 TA3 A:TBR601 2.6 417.8 1.0 BR9 A:TBR601 3.6 325.9 1.0 BRA A:TBR601 3.6 309.0 1.0 BR1 A:TBR601 3.7 326.3 1.0 BR2 A:TBR601 3.7 331.0 1.0 CB A:ASP50 4.0 82.2 1.0 TA4 A:TBR601 4.2 418.5 1.0 TA1 A:TBR601 4.2 408.6 1.0 O A:ASP50 4.5 63.5 1.0 C A:ASP50 4.5 65.3 1.0 OD1 A:ASP51 4.5 87.9 1.0 N A:ASP51 4.8 61.3 1.0 CA A:ASP50 4.9 67.8 1.0 CG A:ASP50 4.9 91.2 1.0 CB A:GLN54 5.0 66.4 1.0

Bromine binding site 6 out of 12 in the Crystal Structure of Estg in Complex with Tantalum Cluster


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of Estg in Complex with Tantalum Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:312.5 occ:1.00 BR6 A:TBR601 0.0 312.5 1.0 TA5 A:TBR601 2.6 416.9 1.0 TA3 A:TBR601 2.6 417.8 1.0 BR2 A:TBR601 3.6 331.0 1.0 BR7 A:TBR601 3.7 317.5 1.0 BRA A:TBR601 3.7 309.0 1.0 BR3 A:TBR601 3.7 312.6 1.0 CD A:LYS47 4.0 114.6 1.0 TA4 A:TBR601 4.2 418.5 1.0 TA1 A:TBR601 4.2 408.6 1.0 CE A:LYS47 4.2 122.6 1.0 NZ A:LYS47 4.6 125.7 1.0 CG A:LYS47 4.9 100.5 1.0

Bromine binding site 7 out of 12 in the Crystal Structure of Estg in Complex with Tantalum Cluster


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Crystal Structure of Estg in Complex with Tantalum Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:317.5 occ:1.00 BR7 A:TBR601 0.0 317.5 1.0 TA4 A:TBR601 2.6 418.5 1.0 TA5 A:TBR601 2.6 416.9 1.0 BR8 A:TBR601 3.6 331.9 1.0 BRB A:TBR601 3.7 309.3 1.0 BR6 A:TBR601 3.7 312.5 1.0 BRA A:TBR601 3.7 309.0 1.0 TA6 A:TBR601 4.2 420.6 1.0 TA3 A:TBR601 4.2 417.8 1.0

Bromine binding site 8 out of 12 in the Crystal Structure of Estg in Complex with Tantalum Cluster


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Crystal Structure of Estg in Complex with Tantalum Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:331.9 occ:1.00 BR8 A:TBR601 0.0 331.9 1.0 TA4 A:TBR601 2.6 418.5 1.0 TA6 A:TBR601 2.7 420.6 1.0 BR7 A:TBR601 3.6 317.5 1.0 BRC A:TBR601 3.7 348.1 1.0 BR9 A:TBR601 3.7 325.9 1.0 BRB A:TBR601 3.7 309.3 1.0 TA5 A:TBR601 4.2 416.9 1.0 TA2 A:TBR601 4.2 412.2 1.0

Bromine binding site 9 out of 12 in the Crystal Structure of Estg in Complex with Tantalum Cluster


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Crystal Structure of Estg in Complex with Tantalum Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:325.9 occ:1.00 BR9 A:TBR601 0.0 325.9 1.0 TA4 A:TBR601 2.6 418.5 1.0 TA2 A:TBR601 2.6 412.2 1.0 BRA A:TBR601 3.6 309.0 1.0 BR5 A:TBR601 3.6 314.6 1.0 BRC A:TBR601 3.6 348.1 1.0 BR8 A:TBR601 3.7 331.9 1.0 TA3 A:TBR601 4.2 417.8 1.0 TA6 A:TBR601 4.2 420.6 1.0 OE1 A:GLN54 5.0 61.1 1.0

Bromine binding site 10 out of 12 in the Crystal Structure of Estg in Complex with Tantalum Cluster


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Crystal Structure of Estg in Complex with Tantalum Cluster within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:309.0 occ:1.00 BRA A:TBR601 0.0 309.0 1.0 TA3 A:TBR601 2.6 417.8 1.0 TA4 A:TBR601 2.6 418.5 1.0 BR9 A:TBR601 3.6 325.9 1.0 BR5 A:TBR601 3.6 314.6 1.0 BR6 A:TBR601 3.7 312.5 1.0 BR7 A:TBR601 3.7 317.5 1.0 TA2 A:TBR601 4.2 412.2 1.0 TA5 A:TBR601 4.2 416.9 1.0

A.K.Daitch, B.C.Orsburn, Z.Chen, L.Alvarez, C.D.Eberhard, K.Sundararajan, R.Zeinert, D.F.Kreitler, J.Jakoncic, P.Chien, F.Cava, S.B.Gabelli, E.D.Goley. Estg Is A Novel Esterase Required For Cell Envelope Integrity in Caulobacter. Curr.Biol. 2022.
ISSN: ISSN 0960-9822
PubMed: 36516849
DOI: 10.1016/J.CUB.2022.11.037