Bromine in PDB 4whi: Crystal Structure of C-Terminal Domain of Penicillin Binding Protein RV0907

The structure of Crystal Structure of C-Terminal Domain of Penicillin Binding Protein RV0907, PDB code: 4whi was solved by C.Chang, C.Hatzos-Skintges, R.Jedrzejczak, A.Joachimiak, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.17 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.305, 49.839, 59.345, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 20.5

The structure of Crystal Structure of C-Terminal Domain of Penicillin Binding Protein RV0907 also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Bromine atom in the Crystal Structure of C-Terminal Domain of Penicillin Binding Protein RV0907 (pdb code 4whi). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 16 binding sites of Bromine where determined in the Crystal Structure of C-Terminal Domain of Penicillin Binding Protein RV0907, PDB code: 4whi:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 16 in the Crystal Structure of C-Terminal Domain of Penicillin Binding Protein RV0907


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 C-Terminal Domain of Penicillin Binding Protein RV0907 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:28.6 occ:1.00 O A:HOH783 3.3 23.8 1.0 O A:HOH787 3.5 34.9 1.0 ND1 A:HIS468 3.5 16.6 1.0 NH1 A:ARG473 3.6 12.8 1.0 O A:HIS468 4.0 13.7 1.0 CB A:GLN471 4.0 14.8 1.0 CB A:HIS468 4.0 13.5 1.0 CG A:GLN471 4.1 15.3 1.0 CG A:HIS468 4.2 15.3 1.0 CD A:ARG473 4.2 12.4 1.0 O A:HOH725 4.5 35.5 1.0 CG A:ARG473 4.5 12.0 1.0 CE1 A:HIS468 4.6 19.0 1.0 O A:HOH755 4.6 34.2 1.0 C A:HIS468 4.7 13.7 1.0 CZ A:ARG473 4.7 11.7 1.0 OD1 A:ASP484 4.7 20.5 1.0 CA A:HIS468 4.9 12.4 1.0 NE A:ARG473 4.9 11.9 1.0

Bromine binding site 2 out of 16 in the Crystal Structure of C-Terminal Domain of Penicillin Binding Protein RV0907


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 C-Terminal Domain of Penicillin Binding Protein RV0907 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br602 b:20.9 occ:0.50 ND2 A:ASN480 3.4 16.8 1.0 OD1 A:ASN480 4.2 14.6 1.0 O A:HOH780 4.2 36.9 1.0 CG A:ASN480 4.2 15.7 1.0

Bromine binding site 3 out of 16 in the Crystal Structure of C-Terminal Domain of Penicillin Binding Protein RV0907


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 C-Terminal Domain of Penicillin Binding Protein RV0907 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br603 b:45.2 occ:1.00 N A:VAL454 3.2 14.3 1.0 CA A:GLY453 3.6 12.9 1.0 C A:GLY453 3.9 13.3 1.0 O A:VAL454 4.1 16.1 1.0 CA A:VAL454 4.2 13.1 1.0 CB A:VAL454 4.3 14.4 1.0 CB A:ARG532 4.5 21.1 1.0 C A:VAL454 4.5 13.7 1.0 CG2 A:VAL454 4.6 15.4 1.0 CD A:ARG532 4.9 22.3 1.0 OXT A:ARG532 4.9 30.7 1.0 N A:GLY453 5.0 11.3 1.0

Bromine binding site 4 out of 16 in the Crystal Structure of C-Terminal Domain of Penicillin Binding Protein RV0907


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 C-Terminal Domain of Penicillin Binding Protein RV0907 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br604 b:29.0 occ:1.00 OG A:SER498 3.2 17.9 1.0 N A:SER498 3.3 13.3 1.0 ND2 A:ASN501 3.6 17.9 1.0 CB A:SER498 3.7 15.4 1.0 NE2 A:GLN481 3.9 30.0 1.0 CB A:ASN501 3.9 15.6 1.0 CZ A:PHE483 3.9 19.5 1.0 CA A:SER498 4.0 13.2 1.0 O A:HOH773 4.1 46.3 1.0 CE2 A:PHE483 4.2 18.5 1.0 CG A:ASN501 4.2 16.7 1.0 CB A:LEU497 4.2 13.7 1.0 CA A:LEU497 4.3 12.7 1.0 C A:LEU497 4.3 12.7 1.0 CD2 A:LEU497 4.4 16.3 1.0 OE1 A:GLN481 4.4 35.2 1.0 CD A:GLN481 4.4 25.9 1.0 O A:SER498 4.5 12.6 1.0 N A:ASN501 4.6 15.5 1.0 CA A:ASN501 4.7 15.0 1.0 C A:SER498 4.7 12.8 1.0 CG A:LEU497 4.8 15.0 1.0

Bromine binding site 5 out of 16 in the Crystal Structure of C-Terminal Domain of Penicillin Binding Protein RV0907


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 C-Terminal Domain of Penicillin Binding Protein RV0907 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br605 b:25.8 occ:1.00 O A:HOH759 3.2 16.1 1.0 N A:ASP484 3.4 14.0 1.0 O A:HOH706 3.8 26.0 1.0 CA A:PHE483 4.0 13.2 1.0 O A:HOH737 4.1 46.7 1.0 CB A:ASP484 4.1 14.8 1.0 C A:PHE483 4.2 13.3 1.0 CG A:ASP484 4.3 17.2 1.0 CA A:ASP484 4.3 13.0 1.0 O A:THR482 4.4 15.8 1.0 O A:HOH735 4.5 25.1 1.0 OD2 A:ASP484 4.5 23.7 1.0 O A:HOH739 4.5 43.4 1.0 OG1 A:THR496 4.7 17.9 1.0 CB A:PHE483 4.7 14.4 1.0 OD1 A:ASP484 4.7 20.5 1.0 O A:ASP484 4.9 13.8 1.0 CD2 A:PHE483 4.9 15.6 1.0

Bromine binding site 6 out of 16 in the Crystal Structure of C-Terminal Domain of Penicillin Binding Protein RV0907


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 C-Terminal Domain of Penicillin Binding Protein RV0907 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br606 b:38.5 occ:1.00 OG A:SER508 3.3 19.8 1.0 CB A:SER508 3.8 17.2 1.0 CA A:TYR521 3.8 18.0 1.0 CD1 A:TYR521 3.9 21.5 1.0 CD A:GLU520 4.0 30.9 1.0 OE2 A:GLU520 4.0 27.1 1.0 CG A:GLU520 4.0 27.6 1.0 N A:TYR521 4.0 18.2 1.0 CB A:TYR521 4.1 18.6 1.0 CA A:SER508 4.2 15.8 1.0 CG A:TYR521 4.5 20.4 1.0 OE1 A:GLU520 4.5 41.5 1.0 O A:ILE507 4.6 17.4 1.0 C A:GLU520 4.6 20.5 1.0 O A:GLU520 4.9 21.3 1.0 CB A:GLU520 4.9 25.1 1.0 O A:HOH756 5.0 20.5 1.0 CE1 A:TYR521 5.0 25.1 1.0

Bromine binding site 7 out of 16 in the Crystal Structure of C-Terminal Domain of Penicillin Binding Protein RV0907


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 C-Terminal Domain of Penicillin Binding Protein RV0907 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br607 b:45.2 occ:1.00 N A:GLY435 3.3 20.6 1.0 N A:LYS436 3.6 23.2 1.0 N A:GLN437 3.7 24.9 1.0 CA A:GLY435 3.8 21.1 1.0 O A:HOH730 3.9 26.9 1.0 C A:GLY435 3.9 22.9 1.0 CB A:GLN437 4.3 32.0 1.0 C A:VAL434 4.3 17.0 1.0 CA A:VAL434 4.5 16.8 1.0 CA A:LYS436 4.5 23.4 1.0 CA A:GLN437 4.6 27.4 1.0 CG A:GLN437 4.6 33.6 1.0 C A:LYS436 4.6 24.0 1.0 O A:GLY435 4.8 22.1 1.0 O A:ALA433 5.0 20.3 1.0

Bromine binding site 8 out of 16 in the Crystal Structure of C-Terminal Domain of Penicillin Binding Protein RV0907


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 C-Terminal Domain of Penicillin Binding Protein RV0907 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br608 b:32.6 occ:0.50 O A:HOH768 3.1 34.9 1.0 OG1 A:THR492 3.1 17.4 1.0 N A:ASP491 3.5 14.7 1.0 N A:THR492 3.8 12.9 1.0 C A:ASP491 3.9 13.5 1.0 CB A:ASP491 3.9 16.9 1.0 CA A:ASP491 3.9 14.8 1.0 O A:ASP489 4.0 14.7 1.0 CG2 A:THR511 4.1 18.1 1.0 CB A:THR492 4.2 14.2 1.0 CA A:THR492 4.5 12.6 1.0 O A:ASP491 4.5 12.9 1.0 C A:GLY490 4.5 15.1 1.0 O A:HOH789 4.6 42.1 1.0 CA A:GLY490 4.7 15.9 1.0 CG A:ASP491 4.8 19.3 1.0 OD2 A:ASP491 4.8 24.0 1.0 O A:PHE512 4.8 18.6 1.0 O A:HOH745 4.9 30.2 1.0

Bromine binding site 9 out of 16 in the Crystal Structure of C-Terminal Domain of Penicillin Binding Protein RV0907


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 C-Terminal Domain of Penicillin Binding Protein RV0907 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br609 b:24.6 occ:0.50 O A:HOH777 2.7 31.9 1.0 OG A:SER445 3.3 20.6 1.0 O A:HOH774 3.5 25.0 1.0 CB A:HIS487 3.7 14.3 1.0 CG A:HIS487 3.9 15.7 1.0 CB A:SER445 4.0 17.0 1.0 CD2 A:LEU448 4.2 12.4 1.0 CD2 A:HIS487 4.4 16.6 1.0 ND1 A:HIS487 4.4 17.0 1.0 O A:HOH782 4.5 52.1 1.0 CE2 A:PHE493 4.5 13.2 1.0 BR A:BR616 4.6 31.4 0.5 O A:HOH703 4.7 27.1 1.0 CD1 A:LEU448 4.8 14.1 1.0 CG A:LEU448 4.9 13.4 1.0 CZ A:PHE493 4.9 13.1 1.0 CA A:HIS487 5.0 13.2 1.0

Bromine binding site 10 out of 16 in the Crystal Structure of C-Terminal Domain of Penicillin Binding Protein RV0907


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 C-Terminal Domain of Penicillin Binding Protein RV0907 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br610 b:28.8 occ:0.50 N A:ILE507 3.4 16.4 1.0 CA A:SER506 3.8 15.8 1.0 CB A:ILE507 4.0 19.8 1.0 CG1 A:ILE507 4.1 23.5 1.0 C A:SER506 4.1 15.6 1.0 CB A:SER506 4.1 19.3 1.0 CA A:ILE507 4.3 16.8 1.0 CD1 A:ILE507 4.5 29.7 1.0 O A:ILE507 4.7 17.4 1.0 O A:HOH792 4.7 30.4 1.0 O A:GLY505 4.8 16.1 1.0

C.Chang, C.Hatzos-Skintges, R.Jedrzejczak, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg). Crystal Structure of C-Terminal Domain of Penicillin Binding Protein RV0907 To Be Published.