Chlorine in PDB 3hq2: Bsucp Crystal Structure

The structure of Bsucp Crystal Structure, PDB code: 3hq2 was solved by M.M.Lee, C.E.Isaza, J.D.White, R.P.-Y.Chen, G.F.-C.Liang, H.T.-F.He, S.I.Chan, M.K.Chan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.37 / 2.90
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	88.957, 149.002, 217.840, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 25.1

The structure of Bsucp Crystal Structure also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Zinc	(Zn)	7 atoms

The binding sites of Chlorine atom in the Bsucp Crystal Structure (pdb code 3hq2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Bsucp Crystal Structure, PDB code: 3hq2:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Bsucp Crystal Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bsucp Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:39.9 occ:1.00 ZN A:ZN504 2.5 45.0 1.0 OE2 A:GLU114 3.7 28.8 1.0 NE2 A:HIS28 3.8 30.2 1.0 OE1 A:GLU114 3.9 34.5 1.0 CL A:CL509 3.9 40.0 1.0 CD A:GLU114 4.1 28.9 1.0 O A:HOH563 4.1 19.3 1.0 CA A:GLY411 4.1 23.9 1.0 CE1 A:HIS28 4.5 23.6 1.0 OD1 A:ASP413 4.6 37.3 1.0 CD2 A:HIS28 4.6 22.2 1.0 CG2 A:VAL407 4.8 24.8 1.0 O A:GLY411 4.9 24.1 1.0 C A:GLY411 4.9 24.3 1.0 N A:GLY411 5.0 23.9 1.0

Chlorine binding site 2 out of 7 in the Bsucp Crystal Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bsucp Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:40.0 occ:1.00 ZN A:ZN504 2.4 45.0 1.0 OE1 A:GLU114 3.3 34.5 1.0 CE1 A:HIS28 3.8 23.6 1.0 NE2 A:HIS28 3.8 30.2 1.0 CL A:CL505 3.9 39.9 1.0 CD2 A:PHE236 4.1 18.7 1.0 CG1 A:VAL407 4.1 24.3 1.0 CG A:PHE236 4.2 17.7 1.0 CB A:PHE236 4.3 19.2 1.0 CG2 A:VAL407 4.4 24.8 1.0 CD A:GLU114 4.5 28.9 1.0 O A:HIS234 4.5 28.9 1.0 CD2 A:HIS234 4.6 45.4 1.0 CE2 A:PHE236 4.7 20.0 1.0 CB A:VAL407 4.8 24.8 1.0 CG A:ARG32 4.9 21.2 1.0 CD1 A:PHE236 4.9 17.2 1.0

Chlorine binding site 3 out of 7 in the Bsucp Crystal Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Bsucp Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:54.7 occ:0.50 ZN A:ZN506 2.1 53.8 0.5 ZN A:ZN508 3.0 49.8 1.0 NE2 A:HIS310 3.4 50.4 1.0 NZ A:LYS309 3.6 41.9 1.0 CD2 A:HIS310 3.9 45.9 1.0 OE2 A:GLU446 4.1 47.9 1.0 CL A:CL510 4.3 53.4 0.5 CE1 A:HIS310 4.3 46.6 1.0 CG A:HIS310 5.0 44.0 1.0

Chlorine binding site 4 out of 7 in the Bsucp Crystal Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Bsucp Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl510 b:53.4 occ:0.50 ZN A:ZN506 2.1 53.8 0.5 NE2 A:HIS310 2.7 50.4 1.0 ZN A:ZN508 3.1 49.8 1.0 CE1 A:HIS310 3.3 46.6 1.0 OD2 A:ASP442 3.5 38.0 1.0 CD2 A:HIS310 3.8 45.9 1.0 CB A:ASP442 3.9 35.0 1.0 CG A:ASP442 4.1 37.6 1.0 CL A:CL507 4.3 54.7 0.5 ND1 A:HIS310 4.5 45.1 1.0 O A:HOH536 4.5 23.1 1.0 CG A:HIS310 4.7 44.0 1.0

Chlorine binding site 5 out of 7 in the Bsucp Crystal Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Bsucp Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl505 b:32.6 occ:1.00 ZN B:ZN504 2.5 42.5 1.0 OE2 B:GLU114 3.8 26.1 1.0 NE2 B:HIS28 3.8 31.2 1.0 CL B:CL506 4.0 40.6 1.0 CA B:GLY411 4.1 27.9 1.0 OE1 B:GLU114 4.1 30.4 1.0 OD1 B:ASP413 4.1 39.3 1.0 CD B:GLU114 4.2 25.1 1.0 O B:HOH519 4.4 26.3 1.0 CD2 B:HIS28 4.5 25.0 1.0 CE1 B:HIS28 4.7 24.8 1.0 O B:GLY411 4.9 29.8 1.0 C B:GLY411 4.9 28.6 1.0 N B:GLY411 4.9 26.8 1.0 O B:HOH605 4.9 15.4 1.0 CG B:ASP413 5.0 35.7 1.0

Chlorine binding site 6 out of 7 in the Bsucp Crystal Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Bsucp Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl508 b:33.0 occ:1.00 ZN B:ZN507 2.4 46.0 1.0 OE2 B:GLU449 3.7 30.8 1.0 O B:HOH626 4.0 24.6 1.0 CE1 B:HIS451 4.0 17.0 1.0 OE1 B:GLU449 4.2 32.1 1.0 CD B:GLU449 4.3 31.3 1.0 ND1 B:HIS451 4.3 17.1 1.0

Chlorine binding site 7 out of 7 in the Bsucp Crystal Structure


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Bsucp Crystal Structure within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl506 b:40.6 occ:1.00 ZN B:ZN504 2.3 42.5 1.0 OE1 B:GLU114 3.2 30.4 1.0 CE1 B:HIS28 3.4 24.8 1.0 NE2 B:HIS28 3.4 31.2 1.0 CD2 B:PHE236 3.7 15.4 1.0 CG B:PHE236 3.8 16.7 1.0 CB B:PHE236 4.0 19.1 1.0 CL B:CL505 4.0 32.6 1.0 CG1 B:VAL407 4.3 20.9 1.0 CE2 B:PHE236 4.3 16.3 1.0 CD B:GLU114 4.3 25.1 1.0 CD1 B:PHE236 4.5 16.6 1.0 CG2 B:VAL407 4.7 23.8 1.0 O B:HIS234 4.7 30.5 1.0 ND1 B:HIS28 4.7 23.8 1.0 CG B:ARG32 4.7 22.3 1.0 OE2 B:GLU114 4.8 26.1 1.0 CD2 B:HIS28 4.8 25.0 1.0 CZ B:PHE236 4.9 15.0 1.0

M.M.Lee, C.E.Isaza, J.D.White, R.P.Chen, G.F.Liang, H.T.He, S.I.Chan, M.K.Chan. Insight Into the Substrate Length Restriction of M32 Carboxypeptidases: Characterization of Two Distinct Subfamilies. Proteins V. 77 647 2009.
ISSN: ISSN 0887-3585
PubMed: 19544567
DOI: 10.1002/PROT.22478