Atomistry » Bromine » PDB 3ma6-3oji » 3mpr
Atomistry »
  Bromine »
    PDB 3ma6-3oji »
      3mpr »

Bromine in PDB 3mpr: Crystal Structure of Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A

Protein crystallography data

The structure of Crystal Structure of Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A, PDB code: 3mpr was solved by A.Kuzin, M.Su, J.Seetharaman, M.Mao, R.Xiao, C.Ciccosanti, D.Lee, J.K.Everett, R.Nair, T.B.Acton, B.Rost, G.T.Montelione, J.F.Hunt, L.Tong, Northeast Structural Genomics Consortium (Nesg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.47 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 76.643, 103.143, 79.811, 90.00, 103.39, 90.00
R / Rfree (%) 15.6 / 20.4

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A (pdb code 3mpr). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 14 binding sites of Bromine where determined in the Crystal Structure of Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A, PDB code: 3mpr:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 14 in 3mpr

Go back to Bromine Binding Sites List in 3mpr
Bromine binding site 1 out of 14 in the Crystal Structure of Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A


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 Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br299

b:21.0
occ:1.00
OG A:SER187 3.1 14.4 1.0
NE A:ARG151 3.4 16.3 1.0
N A:SER187 3.5 11.9 1.0
NH2 A:ARG151 3.5 15.0 1.0
CB A:SER187 3.6 14.5 1.0
CB A:HIS185 3.8 9.9 1.0
CZ A:ARG151 3.9 16.6 1.0
CG A:LYS148 3.9 30.9 1.0
N A:GLN186 4.0 13.4 1.0
CA A:SER187 4.2 11.1 1.0
ND1 A:HIS185 4.2 19.7 1.0
NZ A:LYS148 4.2 38.0 1.0
CG2 A:VAL181 4.2 16.8 1.0
CB A:GLN186 4.4 16.7 1.0
CB A:ARG151 4.4 10.2 1.0
OE1 D:GLU224 4.4 28.8 0.5
C A:GLN186 4.4 9.9 1.0
CG A:HIS185 4.4 15.2 1.0
CA A:GLN186 4.4 15.2 1.0
CD A:ARG151 4.5 16.6 1.0
CE A:LYS148 4.5 34.6 1.0
CG2 A:VAL152 4.5 14.0 1.0
O A:LYS148 4.5 15.9 1.0
C A:HIS185 4.6 15.1 1.0
O A:HOH330 4.6 27.7 1.0
CA A:HIS185 4.7 12.4 1.0
CD A:LYS148 4.8 32.9 1.0
CA A:LYS148 4.8 19.5 1.0
O D:HOH557 4.8 33.2 1.0
CB A:LYS148 4.8 25.9 1.0
OE2 D:GLU224 4.9 15.0 0.5

Bromine binding site 2 out of 14 in 3mpr

Go back to Bromine Binding Sites List in 3mpr
Bromine binding site 2 out of 14 in the Crystal Structure of Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A


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 Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br300

b:56.4
occ:1.00
O A:HOH458 3.0 29.6 1.0
O A:HOH615 3.3 35.8 1.0
O A:HOH1123 3.4 42.1 1.0
O A:HOH435 3.5 29.9 1.0
N A:HIS296 3.6 24.9 1.0
O A:HIS294 4.0 22.2 1.0
ND1 A:HIS295 4.0 53.0 1.0
N A:SER235 4.1 10.2 1.0
CB A:HIS296 4.2 28.3 1.0
CA A:HIS295 4.2 24.1 1.0
CE1 A:HIS295 4.2 54.6 1.0
CB A:PRO234 4.3 17.6 1.0
CB A:SER235 4.3 13.5 1.0
CD2 A:HIS296 4.3 38.3 1.0
CA A:SER235 4.3 11.9 1.0
C A:HIS295 4.4 24.8 1.0
C A:PRO234 4.4 12.3 1.0
CG A:HIS295 4.4 49.0 1.0
CA A:HIS296 4.5 24.3 1.0
CG A:HIS296 4.5 37.4 1.0
CG A:PRO234 4.6 21.3 1.0
O A:HIS296 4.6 29.5 1.0
NE2 A:HIS295 4.7 54.9 1.0
CD A:PRO234 4.8 15.0 1.0
CD2 A:HIS295 4.8 53.1 1.0
O A:PRO234 4.8 13.2 1.0
CA A:PRO234 4.9 12.4 1.0
CB A:HIS295 4.9 38.4 1.0
C A:HIS294 4.9 18.5 1.0
O A:HOH565 5.0 35.5 1.0

Bromine binding site 3 out of 14 in 3mpr

Go back to Bromine Binding Sites List in 3mpr
Bromine binding site 3 out of 14 in the Crystal Structure of Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A


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 Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br301

b:50.9
occ:1.00
O A:HOH443 3.1 30.2 1.0
N A:HIS55 3.3 12.8 1.0
ND1 A:HIS55 3.4 19.3 1.0
N A:LEU54 3.6 9.6 1.0
CB A:HIS55 3.9 18.1 1.0
CB A:LEU54 3.9 16.2 1.0
O A:HOH355 4.0 15.2 1.0
CB A:PHE53 4.0 10.5 1.0
CA A:LEU54 4.0 10.5 1.0
CG A:HIS55 4.1 14.6 1.0
O A:HOH441 4.1 23.7 1.0
C A:LEU54 4.1 12.0 1.0
CA A:HIS55 4.1 13.7 1.0
C A:PHE53 4.4 12.2 1.0
O A:HOH470 4.4 32.3 1.0
CE1 A:HIS55 4.5 13.6 1.0
CA A:PHE53 4.7 11.9 1.0
O A:HOH1135 4.8 24.3 1.0
CG A:LEU54 4.9 20.5 1.0
O A:ASP79 4.9 20.6 1.0
CG A:PHE53 5.0 19.9 1.0

Bromine binding site 4 out of 14 in 3mpr

Go back to Bromine Binding Sites List in 3mpr
Bromine binding site 4 out of 14 in the Crystal Structure of Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A


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 Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br302

b:92.7
occ:1.00
O A:HOH503 3.5 31.6 1.0
OD2 A:ASP131 3.6 34.1 1.0
OD1 A:ASP131 3.6 22.9 1.0
O A:SER6 3.8 13.1 1.0
O A:HOH378 3.9 17.4 1.0
CG A:ASP131 4.0 26.7 1.0
CD2 A:LEU7 4.2 22.3 1.0
CG2 A:THR5 4.4 11.7 1.0
SG A:CYS129 4.4 15.5 1.0
CB A:CYS129 4.5 13.8 1.0
CE2 A:PHE93 4.6 13.5 1.0
CD A:LYS92 4.7 20.1 1.0
CZ A:PHE93 4.7 14.0 1.0
CG A:LYS92 4.8 17.6 1.0
CB A:LYS92 4.8 17.1 1.0
C A:SER6 4.9 12.5 1.0
O A:LYS92 5.0 11.3 1.0

Bromine binding site 5 out of 14 in 3mpr

Go back to Bromine Binding Sites List in 3mpr
Bromine binding site 5 out of 14 in the Crystal Structure of Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A


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 Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br303

b:94.2
occ:1.00
O A:PHE214 3.7 10.8 1.0
CD2 A:PHE214 4.1 15.7 1.0
O A:HOH324 4.1 11.3 1.0
CB A:SER221 4.3 13.0 1.0
C A:PHE214 4.4 11.8 1.0
OG A:SER221 4.5 13.1 1.0
CG2 A:THR223 4.5 14.4 1.0
CB A:THR223 4.6 17.3 1.0
O A:HOH358 4.6 24.9 1.0
O A:HOH948 4.6 36.9 1.0
CA A:ASN215 4.7 8.7 1.0
CE2 A:PHE214 4.8 14.9 1.0
C A:ASN215 4.8 10.6 1.0
O A:ASN215 4.9 12.4 1.0
CG A:PHE214 4.9 10.3 1.0
N A:ASN215 4.9 10.2 1.0
CB A:PHE214 4.9 7.5 1.0
O A:PHE222 5.0 11.2 1.0

Bromine binding site 6 out of 14 in 3mpr

Go back to Bromine Binding Sites List in 3mpr
Bromine binding site 6 out of 14 in the Crystal Structure of Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A


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 Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br299

b:31.3
occ:1.00
NE2 B:GLN40 3.3 16.9 1.0
N B:GLY66 3.3 17.4 1.0
O B:HOH1149 3.3 51.8 1.0
CD B:PRO65 3.4 20.7 1.0
O B:HOH999 3.4 39.1 1.0
N B:PRO65 3.5 20.9 1.0
C B:LEU64 3.6 17.8 1.0
CD2 B:TYR67 3.8 8.7 1.0
CA B:LEU64 3.8 10.9 1.0
CG B:PRO65 3.8 23.3 1.0
CE2 B:TYR67 3.9 11.9 1.0
CA B:GLY66 4.0 18.3 1.0
O B:HOH455 4.1 28.6 1.0
CG B:GLN40 4.2 7.8 1.0
O B:LEU64 4.2 14.7 1.0
CD B:GLN40 4.2 13.9 1.0
C B:PRO65 4.3 23.1 1.0
CA B:PRO65 4.4 21.7 1.0
CB B:LEU64 4.5 10.9 1.0
CD2 C:HIS295 4.5 34.6 1.0
CG C:HIS295 4.5 36.5 1.0
NE2 C:HIS295 4.6 35.7 1.0
ND1 C:HIS295 4.6 38.8 1.0
CD2 B:LEU64 4.6 8.6 1.0
CE1 C:HIS295 4.6 38.5 1.0
CB B:PRO65 4.7 23.1 1.0
C B:GLY66 4.7 14.7 1.0
N B:TYR67 4.9 10.0 1.0
O B:ALA63 4.9 12.7 1.0
O B:HOH501 5.0 29.0 1.0

Bromine binding site 7 out of 14 in 3mpr

Go back to Bromine Binding Sites List in 3mpr
Bromine binding site 7 out of 14 in the Crystal Structure of Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A


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 Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br300

b:24.3
occ:1.00
OG B:SER187 3.1 18.6 1.0
NE B:ARG151 3.4 18.8 1.0
N B:SER187 3.5 12.7 1.0
NH2 B:ARG151 3.5 17.8 1.0
CB B:SER187 3.6 17.4 1.0
CB B:HIS185 3.8 21.9 1.0
CZ B:ARG151 3.9 18.4 1.0
N B:GLN186 4.0 16.8 1.0
CG B:LYS148 4.0 27.4 1.0
CG2 B:VAL181 4.1 24.8 1.0
CA B:SER187 4.1 14.5 1.0
O B:HOH395 4.3 24.0 1.0
CB B:ARG151 4.3 14.7 1.0
CG2 B:VAL152 4.4 19.1 1.0
C B:GLN186 4.4 9.7 1.0
CD2 B:HIS185 4.5 24.3 1.0
CG B:HIS185 4.5 22.7 1.0
CD B:ARG151 4.5 18.9 1.0
CA B:GLN186 4.5 16.5 1.0
O B:LYS148 4.5 17.4 1.0
C B:HIS185 4.5 17.9 1.0
CB B:GLN186 4.5 24.1 1.0
CE B:LYS148 4.6 37.6 1.0
CA B:HIS185 4.7 18.4 1.0
CD B:LYS148 4.8 32.3 1.0
CA B:LYS148 4.8 21.3 1.0
CB B:LYS148 4.9 22.9 1.0
NZ B:LYS148 5.0 45.6 1.0

Bromine binding site 8 out of 14 in 3mpr

Go back to Bromine Binding Sites List in 3mpr
Bromine binding site 8 out of 14 in the Crystal Structure of Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A


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 Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br301

b:53.0
occ:1.00
N B:HIS55 3.3 12.7 1.0
ND1 B:HIS55 3.4 18.4 1.0
CB B:HIS55 3.8 17.5 1.0
N B:LEU54 3.8 9.4 1.0
CB B:PHE53 3.8 12.2 1.0
CB B:LEU54 3.9 14.2 1.0
CG B:HIS55 4.1 18.4 1.0
O B:HOH326 4.1 12.7 1.0
CA B:HIS55 4.1 15.7 1.0
CA B:LEU54 4.2 14.2 1.0
O B:HOH737 4.2 36.0 1.0
C B:LEU54 4.2 14.3 1.0
O B:HOH367 4.4 28.0 1.0
C B:PHE53 4.4 12.8 1.0
CE1 B:HIS55 4.6 14.7 1.0
CA B:PHE53 4.7 10.7 1.0
CG B:PHE53 4.8 18.4 1.0
O B:HOH384 4.9 22.5 1.0
CG B:LEU54 4.9 15.0 1.0

Bromine binding site 9 out of 14 in 3mpr

Go back to Bromine Binding Sites List in 3mpr
Bromine binding site 9 out of 14 in the Crystal Structure of Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A


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 Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br299

b:29.1
occ:1.00
OG C:SER187 3.0 7.1 0.5
CB C:SER187 3.4 17.9 0.5
N C:SER187 3.4 16.3 1.0
CB C:SER187 3.4 17.7 0.5
NE C:ARG151 3.4 19.7 1.0
CD C:LYS148 3.5 48.5 1.0
NH2 C:ARG151 3.7 24.1 1.0
CB C:HIS185 3.9 17.3 1.0
CE C:LYS148 3.9 54.8 1.0
CA C:SER187 4.0 17.5 0.5
CA C:SER187 4.0 17.4 0.5
CZ C:ARG151 4.1 23.8 1.0
N C:GLN186 4.1 18.4 1.0
O C:HOH312 4.1 10.8 1.0
CG2 C:VAL181 4.1 13.3 1.0
ND1 C:HIS185 4.3 19.8 1.0
CB C:ARG151 4.3 17.2 1.0
C C:GLN186 4.4 15.1 1.0
O C:LYS148 4.4 21.4 1.0
CG2 C:VAL152 4.5 20.9 1.0
CD C:ARG151 4.5 19.6 1.0
CA C:GLN186 4.5 17.5 1.0
CG C:HIS185 4.6 19.3 1.0
CB C:GLN186 4.6 14.1 1.0
C C:HIS185 4.6 21.3 1.0
OG C:SER187 4.7 23.1 0.5
CA C:HIS185 4.8 17.9 1.0
CG C:LYS148 4.8 42.4 1.0
CA C:LYS148 5.0 23.4 1.0

Bromine binding site 10 out of 14 in 3mpr

Go back to Bromine Binding Sites List in 3mpr
Bromine binding site 10 out of 14 in the Crystal Structure of Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A


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 Endonuclease/Exonuclease/Phosphatase Family Protein From Bacteroides Thetaiotaomicron, Northeast Structural Genomics Consortium Target BTR318A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br300

b:50.2
occ:1.00
NH1 C:ARG74 3.1 37.2 1.0
CD C:ARG74 3.4 30.4 1.0
O C:HOH394 3.5 22.0 1.0
N C:ILE121 3.6 20.3 1.0
CA C:ARG120 3.8 17.4 1.0
CB C:HIS142 3.9 15.7 1.0
CD C:ARG120 3.9 17.8 1.0
CZ C:ARG74 4.1 36.3 1.0
O C:HIS142 4.1 20.4 1.0
NE C:ARG74 4.2 35.3 1.0
OG C:SER84 4.2 24.4 1.0
C C:ARG120 4.2 22.8 1.0
NH1 C:ARG120 4.3 28.8 1.0
O C:ILE121 4.3 20.6 1.0
CB C:ARG120 4.3 20.7 1.0
CG2 C:ILE121 4.4 23.8 1.0
O C:PRO119 4.4 24.8 1.0
CB C:ARG74 4.4 21.4 1.0
CG C:ARG74 4.5 24.9 1.0
CA C:ILE121 4.7 16.9 1.0
CG C:HIS142 4.7 17.2 1.0
ND1 C:HIS142 4.7 20.7 1.0
N C:HIS142 4.8 16.6 1.0
CA C:HIS142 4.8 14.6 1.0
CG C:ARG120 4.8 22.0 1.0
C C:HIS142 4.8 14.1 1.0
CB C:ILE121 4.9 19.1 1.0
N C:ARG120 5.0 19.2 1.0
C C:ILE121 5.0 19.4 1.0

Reference:

A.Kuzin, M.Su, J.Seetharaman, M.Mao, R.Xiao, C.Ciccosanti, D.Lee, J.K.Everett, R.Nair, T.B.Acton, B.Rost, G.T.Montelione, J.F.Hunt, L.Tong, Northeast Structural Genomics Consortium (Nesg). Northeast Structural Genomics Consortium Target BTR318A To Be Published.
Page generated: Sat Dec 12 02:13:40 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy