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Chlorine in PDB 3sc4: Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile

Protein crystallography data

The structure of Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile, PDB code: 3sc4 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.28 / 2.50
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 111.490, 111.490, 124.880, 90.00, 90.00, 120.00
R / Rfree (%) 17.8 / 22

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile (pdb code 3sc4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile, PDB code: 3sc4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 3sc4

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Chlorine binding site 1 out of 10 in the Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile


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Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl283

b:63.9
occ:1.00
 N A:GLY277 3.4 43.4 1.0
CA A:PRO276 4.1 39.1 1.0
O A:HOH354 4.1 11.3 1.0
C A:PRO276 4.2 41.2 1.0
CA A:GLY277 4.2 45.8 1.0
CB A:PRO276 4.8 39.3 1.0

Chlorine binding site 2 out of 10 in 3sc4

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Chlorine binding site 2 out of 10 in the Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile


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Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl284

b:61.1
occ:1.00
 NE A:ARG71 3.5 38.8 1.0
NH2 A:ARG71 3.6 40.2 1.0
CA A:GLY118 3.7 17.5 1.0
CZ A:ARG71 4.0 39.6 1.0
CD A:ARG122 4.2 24.9 1.0
CB A:ARG71 4.2 30.4 1.0
CG A:ARG71 4.3 32.8 1.0
O A:ASP114 4.3 23.4 1.0
CD A:ARG71 4.5 35.5 1.0
NH1 A:ARG122 4.6 29.0 1.0
N A:GLY118 4.6 18.0 1.0
NE A:ARG122 4.7 27.5 1.0
O A:ARG71 4.7 31.5 1.0
C A:GLY118 4.8 17.2 1.0
CZ A:ARG122 4.8 29.0 1.0
CA A:ARG71 5.0 29.6 1.0

Chlorine binding site 3 out of 10 in 3sc4

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Chlorine binding site 3 out of 10 in the Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl285

b:50.3
occ:1.00
 CD A:ARG112 3.6 33.9 1.0
NH1 A:ARG112 4.1 37.1 1.0
CD A:PRO109 4.2 24.6 1.0
CG A:ARG112 4.4 29.0 1.0
CB A:ARG112 4.4 26.8 1.0
ND2 A:ASN101 4.5 24.8 1.0
NE A:ARG112 4.6 36.6 1.0
CG A:PRO109 4.6 26.7 1.0
CZ A:ARG112 4.8 38.4 1.0

Chlorine binding site 4 out of 10 in 3sc4

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Chlorine binding site 4 out of 10 in the Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl286

b:60.4
occ:1.00
 N A:LYS155 3.5 31.6 1.0
CG A:LYS155 3.6 36.8 1.0
CD A:PRO154 3.8 33.5 1.0
CB A:LYS155 3.8 33.6 1.0
CB A:PRO154 3.8 33.7 1.0
N A:PRO154 3.9 31.8 1.0
CG A:PRO154 4.0 33.9 1.0
CB A:GLU153 4.1 32.2 1.0
CA A:LYS155 4.3 31.7 1.0
CA A:PRO154 4.3 31.9 1.0
C A:GLU153 4.4 30.2 1.0
C A:PRO154 4.4 31.3 1.0
CD A:LYS155 4.6 41.3 1.0
CE A:LYS155 4.7 45.1 1.0
CA A:GLU153 4.7 30.6 1.0
O A:GLU153 5.0 28.4 1.0

Chlorine binding site 5 out of 10 in 3sc4

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Chlorine binding site 5 out of 10 in the Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl287

b:50.1
occ:1.00
 N A:ASP271 3.3 31.2 1.0
OD2 A:ASP271 3.4 39.6 1.0
NH1 A:ARG193 3.7 25.7 1.0
CB A:ASP271 3.7 35.5 1.0
NH1 A:ARG151 3.8 33.1 1.0
CG A:ASP271 4.0 38.6 1.0
CA A:ASP271 4.1 33.8 1.0
CG1 A:VAL270 4.1 27.0 1.0
CA A:VAL270 4.2 26.9 1.0
C A:VAL270 4.2 29.2 1.0
NH2 A:ARG193 4.3 24.9 1.0
CZ A:ARG193 4.4 25.5 1.0
N A:SER272 4.4 32.5 1.0
CB A:VAL270 4.7 27.1 1.0
CZ A:ARG151 4.7 33.6 1.0
C A:ASP271 4.8 33.7 1.0
CD1 A:LEU240 4.8 19.4 1.0

Chlorine binding site 6 out of 10 in 3sc4

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Chlorine binding site 6 out of 10 in the Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl284

b:53.0
occ:1.00
 N B:LYS111 3.2 26.0 1.0
CB B:LYS111 3.6 28.5 1.0
N B:LEU110 3.6 22.7 1.0
CB B:PRO109 3.7 23.6 1.0
O B:HOH340 3.8 10.2 1.0
CB B:LEU110 3.9 23.8 1.0
CA B:LYS111 4.0 26.7 1.0
CA B:LEU110 4.0 23.3 1.0
C B:LEU110 4.1 23.9 1.0
C B:PRO109 4.2 22.4 1.0
CA B:PRO109 4.5 23.0 1.0
CG B:PRO109 4.9 24.1 1.0
CG B:LYS111 5.0 33.5 1.0
O B:PRO109 5.0 21.7 1.0

Chlorine binding site 7 out of 10 in 3sc4

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Chlorine binding site 7 out of 10 in the Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl285

b:55.5
occ:1.00
 N B:GLY277 3.6 37.6 1.0
CA B:GLY277 4.2 39.5 1.0
CA B:PRO276 4.5 34.7 1.0
C B:PRO276 4.5 35.9 1.0

Chlorine binding site 8 out of 10 in 3sc4

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Chlorine binding site 8 out of 10 in the Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl286

b:31.5
occ:1.00
 O B:HOH298 3.2 17.8 1.0
N B:ALA199 3.3 23.1 1.0
O B:HOH343 3.3 19.2 1.0
CA B:THR198 3.6 22.0 1.0
CB B:THR198 3.7 21.2 1.0
CA B:GLY16 3.8 22.3 1.0
CG B:PRO217 3.8 23.5 1.0
C B:THR198 3.9 22.6 1.0
CB B:ALA199 4.2 23.1 1.0
N B:GLY16 4.2 23.0 1.0
CA B:ALA199 4.3 23.6 1.0
CG2 B:THR198 4.4 19.2 1.0
O B:HOH294 4.4 16.9 1.0
C B:GLY16 4.6 21.3 1.0
O B:GLY16 4.7 21.9 1.0
CD B:PRO217 4.7 23.4 1.0
CB B:PRO217 4.8 22.7 1.0
O B:ALA197 4.9 23.1 1.0
OG1 B:THR198 4.9 22.3 1.0
N B:THR198 5.0 22.0 1.0

Chlorine binding site 9 out of 10 in 3sc4

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Chlorine binding site 9 out of 10 in the Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl287

b:59.9
occ:1.00
 N B:LYS155 3.4 28.6 1.0
CG B:LYS155 3.6 33.4 1.0
CD B:PRO154 3.8 29.7 1.0
N B:PRO154 3.8 28.9 1.0
CB B:LYS155 3.9 30.2 1.0
CB B:PRO154 3.9 29.6 1.0
CB B:GLU153 4.1 29.6 1.0
CG B:PRO154 4.2 30.2 1.0
CA B:LYS155 4.2 28.8 1.0
CA B:PRO154 4.2 28.7 1.0
C B:PRO154 4.3 28.0 1.0
C B:GLU153 4.3 27.8 1.0
CE B:LYS155 4.4 42.2 1.0
CD B:LYS155 4.5 38.6 1.0
CA B:GLU153 4.7 28.4 1.0

Chlorine binding site 10 out of 10 in 3sc4

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Chlorine binding site 10 out of 10 in the Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl288

b:46.9
occ:1.00
 O B:HOH323 3.0 24.9 1.0
N B:ASP271 3.2 28.6 1.0
NH2 B:ARG151 3.3 37.2 1.0
CB B:ASP271 3.4 32.8 1.0
OD2 B:ASP271 3.6 35.8 1.0
NH1 B:ARG193 3.7 23.2 1.0
CA B:ASP271 3.8 31.0 1.0
CG B:ASP271 3.9 35.3 1.0
C B:VAL270 4.2 26.6 1.0
N B:SER272 4.2 29.7 1.0
CZ B:ARG151 4.3 33.4 1.0
CA B:VAL270 4.3 24.3 1.0
NH2 B:ARG193 4.4 21.5 1.0
CZ B:ARG193 4.4 20.9 1.0
CG1 B:VAL270 4.5 24.4 1.0
C B:ASP271 4.5 30.7 1.0
CD1 B:LEU240 4.8 18.8 1.0
CB B:VAL270 4.9 24.0 1.0
OD1 B:ASP271 5.0 39.7 1.0
NE B:ARG151 5.0 31.3 1.0

Reference:

Seattle Structural Genomics Center For Infectious Disease(Ssgcid), A.Gardberg, M.C.Clifton, B.Staker, L.Stewart. Crystal Structure of A Short Chain Dehydrogenase (A0QTM2 Homolog) Mycobacterium Thermoresistibile To Be Published.
Page generated: Sat Dec 12 10:09:12 2020

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