Bromine in PDB 5fqe: The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens

The structure of The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens, PDB code: 5fqe was solved by I.Noach, B.Pluvinage, C.Laurie, K.T.Abe, M.Alteen, D.J.Vocadlo, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	87.71 / 1.53
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.420, 115.030, 135.580, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.5

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70; Page 8, Binding sites: 71 - 80; Page 9, Binding sites: 81 - 90; Page 10, Binding sites: 91 - 100; Page 11, Binding sites: 101 - 110; Page 12, Binding sites: 111 - 120; Page 13, Binding sites: 121 - 130; Page 14, Binding sites: 131 - 133;

Binding sites:

The binding sites of Bromine atom in the The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens (pdb code 5fqe). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 133 binding sites of Bromine where determined in the The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens, PDB code: 5fqe:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 133 in the The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1587 b:13.0 occ:1.00 O A:HOH2136 3.2 26.9 1.0 O A:HOH2586 3.4 15.5 1.0 CD1 A:TYR474 3.8 9.4 1.0 N A:LYS475 3.9 9.8 1.0 CE1 A:TYR474 4.0 10.5 1.0 CB A:LYS475 4.1 11.2 1.0 CG A:LYS475 4.2 11.8 1.0 O A:HOH2587 4.4 23.3 1.0 CD A:LYS475 4.4 14.4 1.0 CA A:LYS475 4.6 9.7 1.0 CA A:TYR474 4.6 9.7 1.0 CD1 A:TYR235 4.6 13.2 1.0 C A:TYR474 4.7 10.3 1.0 CE1 A:TYR235 4.9 13.6 1.0 CG A:TYR474 4.9 10.2 1.0

Bromine binding site 2 out of 133 in the The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1588 b:19.3 occ:1.00 O A:HOH2460 3.2 24.5 1.0 CA A:LEU357 3.9 14.3 1.0 N A:LEU357 4.0 14.0 1.0 C A:ASP356 4.1 15.1 1.0 CD1 A:ILE316 4.2 19.8 1.0 CB A:ASP356 4.2 16.8 1.0 CD1 A:LEU357 4.3 17.6 1.0 O A:ASP356 4.3 17.1 1.0 CB A:LEU357 4.3 14.7 1.0 ND2 A:ASN360 4.4 35.2 1.0 O A:HOH2462 4.5 30.4 1.0 CG1 A:ILE316 4.6 18.1 1.0 CA A:ASP356 4.9 15.4 1.0

Bromine binding site 3 out of 133 in the The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1589 b:18.7 occ:0.85 O A:HOH2262 3.4 37.7 1.0 O A:HOH2607 3.5 14.8 1.0 O A:HOH2255 3.5 24.4 1.0 O A:GLU172 3.8 21.7 1.0 CG A:PRO168 3.9 13.9 1.0 CD2 A:TYR518 4.0 15.3 1.0 CB A:PRO168 4.1 13.9 1.0 O A:HOH2253 4.4 31.3 1.0 C A:GLU172 4.4 18.1 1.0 CB A:TYR518 4.4 12.0 1.0 CA A:TYR518 4.5 11.5 1.0 CA A:THR173 4.5 12.6 1.0 O A:HOH2259 4.5 18.4 1.0 OE2 A:GLU521 4.6 36.2 1.0 CG2 A:THR173 4.6 12.9 1.0 CG A:TYR518 4.7 12.9 1.0 N A:THR173 4.8 14.5 1.0 CB A:GLU172 4.8 19.1 1.0 CE2 A:TYR518 5.0 17.0 1.0 N A:TYR518 5.0 11.9 1.0

Bromine binding site 4 out of 133 in the The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1590 b:25.2 occ:0.92 N A:ASN525 3.2 29.1 0.7 N A:ASN525 3.2 26.5 0.3 CG A:ASN525 3.5 23.2 0.3 C A:ALA523 3.5 21.1 1.0 N A:PRO524 3.5 26.5 1.0 OD1 A:ASN525 3.6 26.8 0.3 CA A:ALA523 3.6 18.6 1.0 CB A:ASN525 3.6 32.6 0.7 BR A:BR1620 3.6 19.4 0.6 ND2 A:ASN525 3.7 23.2 0.3 CB A:ALA523 3.9 16.6 1.0 CA A:ASN525 3.9 29.1 0.7 CB A:ASN525 4.0 26.0 0.3 CD A:PRO524 4.0 27.0 1.0 CA A:ASN525 4.0 25.1 0.3 CG A:ASN525 4.0 31.3 0.7 O A:ALA523 4.0 21.9 1.0 C A:PRO524 4.1 27.0 1.0 CA A:PRO524 4.2 27.4 1.0 N A:LEU526 4.4 19.5 1.0 ND2 A:ASN525 4.5 32.3 0.7 OD1 A:ASN525 4.5 34.7 0.7 C A:ASN525 4.5 23.2 0.3 C A:ASN525 4.6 25.6 0.7 CD1 A:LEU582 4.6 51.9 1.0 CB A:PRO524 4.7 30.8 1.0 CG A:LEU526 4.7 18.0 1.0 CD1 A:PHE579 4.8 18.7 1.0 CG A:LEU582 4.9 52.2 1.0 O A:LYS522 4.9 21.2 1.0 N A:ALA523 4.9 19.2 1.0 CG A:PRO524 4.9 30.7 1.0 CE1 A:PHE579 5.0 20.4 1.0

Bromine binding site 5 out of 133 in the The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1591 b:19.4 occ:0.82 O A:HOH2189 3.0 31.0 1.0 O A:HOH2450 3.0 33.2 1.0 O B:HOH2567 3.4 44.2 1.0 N A:ASN290 3.6 13.0 1.0 O A:HOH2401 3.7 27.9 1.0 CA B:ALA546 3.8 15.8 1.0 NE A:ARG346 3.8 21.5 1.0 CB B:ALA546 3.8 14.8 1.0 CZ A:ARG346 3.8 22.1 1.0 CD A:ARG346 4.0 18.5 1.0 NH1 A:ARG346 4.0 26.1 1.0 CD1 A:TRP289 4.2 14.3 1.0 CA A:ASN290 4.3 13.6 1.0 NH2 A:ARG346 4.3 16.9 1.0 N B:ALA546 4.4 17.8 1.0 CA A:TRP289 4.5 12.6 1.0 NE1 A:TRP289 4.6 13.5 1.0 C A:TRP289 4.6 13.3 1.0 O B:ASN545 4.8 17.6 1.0 C B:ASN545 4.9 18.8 1.0 CG A:TRP289 4.9 12.7 1.0 C B:ALA546 4.9 15.3 1.0

Bromine binding site 6 out of 133 in the The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1592 b:16.6 occ:0.65 O A:HOH2245 3.3 13.2 1.0 O A:HOH2316 3.4 16.0 1.0 O A:HOH2094 3.4 26.5 1.0 O A:MET216 3.6 14.1 1.0 O A:HOH2258 3.8 17.8 1.0 ND2 A:ASN514 3.8 11.6 1.0 CG2 A:ILE510 3.9 8.8 1.0 C A:MET216 4.0 11.2 1.0 CB A:PRO170 4.0 18.2 1.0 CG A:PRO170 4.0 19.2 1.0 BR A:BR1622 4.0 21.1 0.4 O A:ASN215 4.2 13.7 1.0 CA A:PRO170 4.4 17.0 1.0 CD A:PRO170 4.4 17.5 1.0 CA A:MET216 4.4 10.4 1.0 CG A:ARG511 4.5 8.8 1.0 N A:GLY217 4.6 10.0 1.0 N A:PRO170 4.6 15.7 1.0 CA A:GLY217 4.8 10.3 1.0 O A:HOH2247 4.8 23.6 1.0 N A:ARG511 4.9 7.4 1.0 O A:PRO168 4.9 13.8 1.0 CA A:ARG511 4.9 8.3 1.0 CB A:ILE510 5.0 8.2 1.0

Bromine binding site 7 out of 133 in the The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1593 b:22.9 occ:0.77 NH1 A:ARG207 3.5 19.9 1.0 CD A:ARG207 4.0 16.6 1.0 O A:HOH2303 4.1 21.1 1.0 CA A:LYS204 4.1 14.1 1.0 BR A:BR1623 4.1 33.6 0.5 O A:LYS204 4.3 15.4 1.0 CB A:ARG207 4.3 12.9 1.0 CG A:LYS204 4.4 25.1 1.0 CG A:ARG207 4.4 14.3 1.0 CB A:LYS204 4.5 19.2 1.0 CZ A:ARG207 4.5 17.4 1.0 C A:LYS204 4.7 13.2 1.0 NE A:ARG207 4.7 17.8 1.0 CE A:LYS204 4.8 31.7 1.0 CD A:LYS204 4.9 30.3 1.0 O A:PHE203 5.0 12.0 1.0

Bromine binding site 8 out of 133 in the The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1594 b:24.1 occ:0.78 OE1 A:GLU303 2.4 26.6 0.4 OE2 A:GLU303 3.1 25.5 0.4 CD A:GLU303 3.1 24.2 0.4 BR A:BR1609 3.3 23.7 0.5 O A:HOH2362 3.7 22.9 1.0 NE2 A:GLN294 3.9 21.2 1.0 C A:TYR295 3.9 17.1 1.0 CA A:TYR295 4.0 16.0 1.0 CG A:GLN294 4.1 17.7 1.0 N A:TYR295 4.1 14.9 1.0 N A:PHE296 4.1 16.7 1.0 O A:GLN294 4.1 16.3 1.0 CG A:GLU303 4.2 28.9 0.6 C A:GLN294 4.2 16.2 1.0 O A:TYR295 4.3 16.8 1.0 CD A:GLN294 4.5 19.0 1.0 CD A:GLU303 4.5 31.1 0.6 CG A:GLU303 4.5 24.0 0.4 CB A:GLN294 4.6 16.5 1.0 OE2 A:GLU303 4.7 38.1 0.6 O A:TRP244 4.8 13.6 1.0 CA A:PHE296 4.9 19.1 1.0 CB A:PHE296 4.9 20.5 1.0 CB A:GLU303 5.0 26.3 0.6

Bromine binding site 9 out of 133 in the The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1595 b:35.5 occ:0.77 ND2 A:ASN307 2.7 18.9 0.5 BR A:BR1605 3.1 30.4 0.4 OD1 A:ASN307 3.2 19.2 0.5 CG A:ASN307 3.3 19.4 0.5 CD A:ARG292 3.6 18.3 1.0 ND2 A:ASN290 3.6 22.0 1.0 NE A:ARG292 3.8 22.9 1.0 ND2 A:ASN307 4.0 21.0 0.5 CG A:ARG292 4.1 16.8 1.0 CG A:ASN307 4.2 20.0 0.5 CZ3 A:TRP289 4.4 15.8 1.0 CB A:ARG292 4.4 15.2 1.0 CB A:ASN307 4.5 18.5 0.5 OD1 A:ASN307 4.6 20.1 0.5 CG A:ASN290 4.7 17.4 1.0 O A:HOH2408 4.7 32.7 1.0 CB A:ASN307 4.7 19.4 0.5 O B:HOH2572 4.7 38.0 1.0 CH2 A:TRP289 4.8 14.8 1.0 CB A:ASN290 4.9 15.5 1.0

Bromine binding site 10 out of 133 in the The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1596 b:25.1 occ:0.78 BR A:BR1612 2.2 38.9 0.5 NE A:ARG207 3.6 17.8 1.0 CD2 A:LEU269 3.6 19.8 1.0 O A:HOH2309 3.6 41.3 1.0 CD A:ARG207 3.9 16.6 1.0 CB A:ASP268 4.0 12.5 1.0 CG A:LEU269 4.1 16.8 1.0 C A:ASP268 4.2 12.2 1.0 O A:ASP268 4.3 14.3 1.0 N A:LEU269 4.3 11.1 1.0 CA A:LEU269 4.6 12.9 1.0 CZ A:ARG207 4.7 17.4 1.0 CA A:ASP268 4.7 11.4 1.0 CD1 A:LEU265 4.8 12.7 1.0 NH2 A:ARG207 4.8 20.8 1.0 CG A:ARG207 4.9 14.3 1.0 CB A:LEU269 5.0 15.4 1.0

I.Noach, B.Pluvinage, C.Laurie, K.T.Abe, M.Alteen, D.J.Vocadlo, A.B.Boraston. The Details of Glycolipid Glycan Hydrolysis By the Structural Analysis of A Family 123 Glycoside Hydrolase From Clostridium Perfringens J.Mol.Biol. V. 428 3253 2016.
ISSN: ISSN 0022-2836
PubMed: 27038508
DOI: 10.1016/J.JMB.2016.03.020