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Bromine in PDB 4kvh: Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747

Protein crystallography data

The structure of Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747, PDB code: 4kvh was solved by C.Chang, J.Holowicki, J.Bearden, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.05 / 1.61
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 91.785, 91.785, 77.963, 90.00, 90.00, 120.00
R / Rfree (%) 15.6 / 18.1

Other elements in 4kvh:

The structure of Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747 also contains other interesting chemical elements:

Arsenic (As) 1 atom

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747 (pdb code 4kvh). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 15 binding sites of Bromine where determined in the Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747, PDB code: 4kvh:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 15 in 4kvh

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Bromine binding site 1 out of 15 in the Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747


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 Ketosteroid Isomerase Fold Protein HMUK_0747 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br203

b:49.3
occ:1.00
 N A:ASP57 3.3 27.9 1.0
CB A:ASN80 3.5 38.9 1.0
N A:SER81 3.6 40.8 1.0
CA A:ASN80 3.7 36.5 1.0
O A:ASP57 3.8 35.6 1.0
C A:ASP57 3.9 29.7 1.0
CB A:THR56 4.0 26.0 1.0
CA A:ASP57 4.0 28.1 1.0
OG A:SER81 4.1 43.7 1.0
C A:ASN80 4.2 42.7 1.0
CA A:THR56 4.2 23.0 1.0
C A:THR56 4.2 25.5 1.0
CG2 A:THR58 4.3 28.9 1.0
CB A:ASP57 4.4 32.0 1.0
N A:THR58 4.5 30.2 1.0
CB A:SER81 4.5 39.9 1.0
CG2 A:THR56 4.6 27.5 1.0
CA A:SER81 4.7 40.5 1.0
CG A:ASN80 4.8 39.7 1.0

Bromine binding site 2 out of 15 in 4kvh

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Bromine binding site 2 out of 15 in the Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747


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 Ketosteroid Isomerase Fold Protein HMUK_0747 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br204

b:31.8
occ:0.50
 O A:HOH386 3.0 51.5 1.0
NH1 A:ARG37 3.3 17.5 1.0
O A:HOH402 3.5 55.0 1.0
CD A:ARG37 3.8 16.8 1.0
CE2 A:PHE48 4.3 15.2 1.0
CZ A:ARG37 4.4 16.9 1.0
NE A:ARG37 4.6 19.0 1.0
OE2 A:GLU52 4.9 19.0 1.0

Bromine binding site 3 out of 15 in 4kvh

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Bromine binding site 3 out of 15 in the Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747


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 Ketosteroid Isomerase Fold Protein HMUK_0747 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br205

b:53.5
occ:0.50
 O A:HOH311 3.9 19.8 1.0
NH1 A:ARG102 3.9 18.0 0.5
CG1 A:VAL92 4.0 10.7 1.0
CD A:ARG104 4.0 15.5 1.0
NE A:ARG104 4.1 19.3 1.0
CZ A:ARG102 4.6 19.3 0.5
CB A:VAL92 4.7 10.0 1.0
NE A:ARG102 4.7 16.9 0.5
CG A:ARG104 5.0 12.2 1.0

Bromine binding site 4 out of 15 in 4kvh

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Bromine binding site 4 out of 15 in the Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747


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 Ketosteroid Isomerase Fold Protein HMUK_0747 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br206

b:72.3
occ:1.00
 O A:HOH418 2.5 31.9 1.0
NH1 A:ARG3 3.7 40.0 1.0
CD A:ARG3 3.7 24.4 1.0
CG A:ARG3 3.8 18.1 1.0
CB A:PHE95 3.9 11.1 1.0
N A:GLY98 4.1 19.8 1.0
CA A:GLY98 4.1 17.8 1.0
O A:HOH363 4.3 45.4 1.0
CG A:PHE95 4.3 10.6 1.0
CZ A:ARG3 4.6 33.3 1.0
NE A:ARG3 4.6 29.6 1.0
O A:HOH336 4.6 31.9 1.0
CD2 A:PHE95 4.7 9.8 1.0
N A:ASN-1 4.8 43.7 1.0
C A:GLY98 4.9 15.6 1.0

Bromine binding site 5 out of 15 in 4kvh

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Bromine binding site 5 out of 15 in the Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747


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 Ketosteroid Isomerase Fold Protein HMUK_0747 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br207

b:58.6
occ:1.00
 O A:HOH348 2.8 30.5 1.0
O A:HOH350 3.2 28.5 1.0
O A:HOH323 3.3 28.3 1.0
O A:HOH403 3.5 46.5 1.0
CA A:PRO54 3.6 13.6 1.0
O1 A:GOL202 3.6 53.3 1.0
C1 A:GOL202 3.7 48.5 1.0
CB A:PRO54 3.7 15.0 1.0
C3 A:GOL202 3.9 38.7 1.0
CG A:ARG53 4.0 11.5 1.0
N A:PRO54 4.0 12.3 1.0
NE A:ARG53 4.1 10.8 1.0
CD A:ARG53 4.3 11.6 1.0
O A:HOH364 4.3 37.8 1.0
C A:ARG53 4.3 12.3 1.0
O A:ARG53 4.3 12.7 1.0
C2 A:GOL202 4.4 43.5 1.0
CD A:PRO54 4.6 13.1 1.0
CG A:PRO54 4.7 15.3 1.0
CB A:ARG53 4.8 10.9 1.0
C A:PRO54 4.9 15.8 1.0

Bromine binding site 6 out of 15 in 4kvh

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Bromine binding site 6 out of 15 in the Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747


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 Ketosteroid Isomerase Fold Protein HMUK_0747 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br208

b:37.6
occ:0.50
 O A:HOH319 2.9 20.0 1.0
O A:HOH309 3.3 17.6 1.0
O A:HOH342 3.9 46.9 1.0
O A:HOH373 4.0 54.9 1.0
CG A:GLU43 4.0 12.0 1.0
OE2 A:GLU43 4.6 17.4 1.0
BR A:BR211 4.6 57.2 1.0
CB A:GLU43 4.7 9.4 1.0
CA A:GLU43 4.7 8.0 1.0
CG1 A:VAL46 4.7 9.8 1.0
O A:HOH375 4.7 45.1 1.0
CD A:GLU43 4.8 13.9 1.0
O A:GLU43 5.0 8.0 1.0
CB A:VAL46 5.0 8.4 1.0

Bromine binding site 7 out of 15 in 4kvh

Go back to Bromine Binding Sites List in 4kvh
Bromine binding site 7 out of 15 in the Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747


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 Ketosteroid Isomerase Fold Protein HMUK_0747 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br209

b:34.0
occ:0.50
 N A:THR38 3.2 11.4 1.0
CA A:ARG37 3.7 13.4 1.0
O A:THR38 3.7 14.2 1.0
CB A:ARG37 3.9 15.7 1.0
C A:ARG37 3.9 11.6 1.0
O A:HOH387 4.1 70.2 1.0
CA A:THR38 4.1 11.2 1.0
CB A:THR38 4.3 13.6 1.0
C A:THR38 4.4 12.2 1.0
O A:HOH329 4.6 32.6 1.0
O A:ASP36 4.7 17.8 0.5
O A:HOH354 4.8 32.7 1.0
OG1 A:THR38 4.8 17.7 1.0
O A:ASP36 4.8 18.4 0.5
N A:ARG37 4.9 15.0 1.0

Bromine binding site 8 out of 15 in 4kvh

Go back to Bromine Binding Sites List in 4kvh
Bromine binding site 8 out of 15 in the Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747


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 Ketosteroid Isomerase Fold Protein HMUK_0747 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br210

b:25.1
occ:0.50
 NE A:ARG44 3.0 11.8 0.5
NH1 A:ARG44 3.0 14.6 0.5
N A:GLU40 3.1 9.0 0.5
N A:GLU40 3.1 9.1 0.5
CD A:ARG44 3.5 9.6 0.5
O A:HOH329 3.7 32.6 1.0
CZ A:ARG44 3.7 12.0 0.5
CD A:ARG44 3.7 10.1 0.5
NH2 A:ARG44 3.7 13.6 0.5
CA A:ILE39 3.8 10.1 1.0
O A:THR38 3.8 14.2 1.0
CB A:GLU40 3.8 11.3 0.5
CG A:GLU40 3.8 12.4 0.5
CB A:GLU40 3.9 12.2 0.5
C A:ILE39 3.9 9.1 1.0
CA A:GLU40 3.9 10.2 0.5
CA A:GLU40 4.0 10.4 0.5
O A:GLU40 4.0 10.2 0.5
O A:GLU40 4.0 10.1 0.5
CZ A:ARG44 4.0 12.5 0.5
NE A:ARG44 4.2 10.4 0.5
C A:GLU40 4.4 10.0 0.5
C A:GLU40 4.4 10.1 0.5
C A:THR38 4.6 12.2 1.0
CD A:GLU40 4.6 16.9 0.5
CG2 A:ILE39 4.6 11.8 1.0
N A:ILE39 4.6 10.1 1.0
OE1 A:GLU40 4.7 18.8 0.5
CB A:ILE39 4.8 10.7 1.0
NH1 A:ARG44 4.9 13.1 0.5
CG A:ARG44 4.9 9.1 0.5
CG A:ARG44 5.0 9.1 0.5

Bromine binding site 9 out of 15 in 4kvh

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Bromine binding site 9 out of 15 in the Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747


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 Ketosteroid Isomerase Fold Protein HMUK_0747 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br211

b:57.2
occ:1.00
 O A:HOH411 2.3 18.4 1.0
O A:HOH375 3.2 45.1 1.0
O A:HOH319 3.2 20.0 1.0
CA A:ARG47 3.8 8.0 1.0
CB A:ARG47 4.0 8.6 1.0
N A:ARG47 4.1 7.9 1.0
CD A:ARG50 4.1 9.7 1.0
CG A:ARG47 4.4 9.2 1.0
CG1 A:VAL46 4.4 9.8 1.0
C A:VAL46 4.5 7.8 1.0
NH1 A:ARG50 4.5 14.1 1.0
BR A:BR208 4.6 37.6 0.5
O A:VAL46 4.6 7.8 1.0
CB A:ARG50 4.6 9.1 1.0
O A:HOH312 4.9 18.9 1.0
CG A:ARG50 5.0 9.8 1.0

Bromine binding site 10 out of 15 in 4kvh

Go back to Bromine Binding Sites List in 4kvh
Bromine binding site 10 out of 15 in the Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747


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 Ketosteroid Isomerase Fold Protein HMUK_0747 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br212

b:93.7
occ:1.00
 O A:HOH322 3.3 28.1 1.0
O A:HOH379 4.6 47.1 1.0
CD2 A:LEU21 4.8 11.8 1.0
CD1 A:LEU21 4.8 10.2 1.0
O A:HOH341 4.8 29.9 1.0
NH1 A:ARG12 4.9 30.6 1.0

Reference:

C.Chang, J.Holowicki, J.Bearden, A.Joachimiak. Crystal Structure of Ketosteroid Isomerase Fold Protein HMUK_0747 To Be Published.
Page generated: Wed Jul 10 21:54:35 2024

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