Chlorine in PDB 7s2j: Crystal Structure of Sulfonamide Resistance Enzyme SUL2 Apoenzyme

Protein crystallography data

The structure of Crystal Structure of Sulfonamide Resistance Enzyme SUL2 Apoenzyme, PDB code: 7s2j was solved by P.J.Stogios, T.Skarina, K.Michalska, M.Venkatesan, R.Di Leo, A.Savchenko, A.Joachimiak, K.J.F.Satchell, Center For Structural Biology Ofinfectious Diseases (Csbid), Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.94 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 39.819, 143.293, 85.893, 90, 90.51, 90
R / Rfree (%) 16.1 / 20.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Sulfonamide Resistance Enzyme SUL2 Apoenzyme (pdb code 7s2j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Sulfonamide Resistance Enzyme SUL2 Apoenzyme, PDB code: 7s2j:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 7s2j

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Chlorine binding site 1 out of 7 in the Crystal Structure of Sulfonamide Resistance Enzyme SUL2 Apoenzyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Sulfonamide Resistance Enzyme SUL2 Apoenzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:81.1
occ:1.00
 CE A:LYS76 3.4 75.0 1.0
NE A:ARG98 3.4 69.7 1.0
NH2 A:ARG98 3.8 48.5 1.0
NZ A:LYS76 4.1 74.7 1.0
CZ A:ARG98 4.1 55.6 1.0
CD A:LYS76 4.1 73.2 1.0
CD A:ARG98 4.4 44.8 1.0
CA A:ARG98 4.8 38.6 1.0
O A:ARG98 4.8 41.8 1.0

Chlorine binding site 2 out of 7 in 7s2j

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Chlorine binding site 2 out of 7 in the Crystal Structure of Sulfonamide Resistance Enzyme SUL2 Apoenzyme


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Sulfonamide Resistance Enzyme SUL2 Apoenzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:63.4
occ:1.00
 O A:HOH576 3.3 29.7 0.5
O A:HOH525 3.5 43.0 1.0
C A:LEU204 3.5 22.5 1.0
O A:LEU204 3.6 22.1 1.0
N A:LEU204 3.7 18.9 1.0
C A:ASP203 3.7 24.3 1.0
N A:PRO205 3.9 18.6 1.0
OD1 A:ASP203 3.9 38.1 1.0
CA A:LEU204 3.9 19.4 1.0
O A:ASP203 4.0 21.9 1.0
NH2 A:ARG199 4.2 28.7 1.0
CA A:PRO205 4.3 19.2 1.0
CA A:ASP203 4.3 22.1 1.0
O A:HOH663 4.4 50.1 1.0
CD A:PRO205 4.5 22.0 1.0
CZ A:ARG199 4.6 34.4 1.0
O A:HOH576 4.6 26.2 0.5
O A:ARG199 4.7 21.7 1.0
NE A:ARG199 4.7 20.2 1.0
CG A:ASP203 4.8 35.9 1.0
O A:HOH672 4.8 55.7 1.0
CB A:PRO205 4.9 19.6 1.0
CB A:ARG199 5.0 20.7 1.0

Chlorine binding site 3 out of 7 in 7s2j

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Chlorine binding site 3 out of 7 in the Crystal Structure of Sulfonamide Resistance Enzyme SUL2 Apoenzyme


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 Sulfonamide Resistance Enzyme SUL2 Apoenzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:57.6
occ:1.00
 O A:HOH491 3.4 27.0 1.0
NH2 A:ARG201 3.5 27.1 1.0
NH2 B:ARG138 3.8 51.7 1.0
O A:HOH547 3.8 43.6 1.0
O B:HOH533 3.9 48.1 1.0
NH1 B:ARG138 4.0 51.1 1.0
O B:HOH474 4.1 58.0 1.0
O B:HOH564 4.2 45.6 1.0
CA B:PRO142 4.3 28.0 1.0
CZ B:ARG138 4.4 55.6 1.0
CB B:PRO142 4.5 27.0 1.0
CZ A:ARG201 4.7 30.4 1.0
OD2 A:ASP155 4.7 23.8 1.0

Chlorine binding site 4 out of 7 in 7s2j

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Chlorine binding site 4 out of 7 in the Crystal Structure of Sulfonamide Resistance Enzyme SUL2 Apoenzyme


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 Sulfonamide Resistance Enzyme SUL2 Apoenzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl305

b:48.9
occ:1.00
 NE B:ARG157 3.0 20.5 1.0
O B:HOH558 3.1 30.9 1.0
NH2 B:ARG157 3.5 31.6 1.0
O B:HOH668 3.5 46.9 1.0
CA B:ARG157 3.5 19.7 1.0
O B:ALA156 3.6 19.5 1.0
N B:ARG157 3.6 18.4 1.0
C B:ALA156 3.6 20.6 1.0
CZ B:ARG157 3.7 24.8 1.0
CD B:ARG157 3.9 19.9 1.0
O B:HOH519 4.0 36.3 1.0
CB B:ALA156 4.0 22.3 1.0
CB B:ARG157 4.1 17.5 1.0
CB B:ALA160 4.3 20.1 1.0
CA B:ALA156 4.5 19.3 1.0
O B:HOH427 4.5 22.1 1.0
CG B:ARG157 4.6 17.3 1.0
O B:HOH535 4.7 46.4 1.0
C B:ARG157 4.8 18.4 1.0
O B:HOH491 4.8 47.5 1.0
NH1 B:ARG157 5.0 23.4 1.0

Chlorine binding site 5 out of 7 in 7s2j

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Chlorine binding site 5 out of 7 in the Crystal Structure of Sulfonamide Resistance Enzyme SUL2 Apoenzyme


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 Sulfonamide Resistance Enzyme SUL2 Apoenzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl304

b:62.5
occ:1.00
 CD C:LYS76 3.6 58.5 1.0
NE C:ARG98 3.7 33.9 1.0
CE C:LYS76 4.0 58.9 1.0
NZ C:LYS76 4.0 61.5 1.0
NH2 C:ARG98 4.0 41.9 1.0
O C:HOH675 4.3 59.0 1.0
CZ C:ARG98 4.4 47.0 1.0
O C:ARG98 4.5 32.9 1.0
CD C:ARG98 4.7 43.0 1.0
CA C:ARG98 4.8 32.3 1.0
CG C:LYS76 4.9 44.8 1.0
C C:ARG98 5.0 33.0 1.0

Chlorine binding site 6 out of 7 in 7s2j

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Chlorine binding site 6 out of 7 in the Crystal Structure of Sulfonamide Resistance Enzyme SUL2 Apoenzyme


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 Sulfonamide Resistance Enzyme SUL2 Apoenzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl305

b:70.1
occ:1.00
 NH2 C:ARG23 2.8 75.5 1.0
NE C:ARG23 3.2 82.8 1.0
CZ C:ARG23 3.3 87.5 1.0
O C:HOH619 3.7 37.0 0.5
O C:HOH562 3.8 33.4 1.0
O C:HOH619 3.9 48.5 0.5
CB C:ASN53 4.0 34.1 1.0
ND2 C:ASN53 4.0 46.5 1.0
O C:HOH457 4.3 40.5 1.0
CD C:ARG23 4.4 59.3 1.0
NH1 C:ARG23 4.5 75.5 1.0
CG C:ASN53 4.5 51.3 1.0
CG C:ARG23 4.5 44.3 1.0
OG C:SER51 4.6 31.9 1.0
CA C:ASN53 5.0 35.4 1.0

Chlorine binding site 7 out of 7 in 7s2j

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Chlorine binding site 7 out of 7 in the Crystal Structure of Sulfonamide Resistance Enzyme SUL2 Apoenzyme


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 Sulfonamide Resistance Enzyme SUL2 Apoenzyme within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:67.9
occ:1.00
 O D:HOH601 3.6 53.5 1.0
O D:LEU204 3.7 27.0 1.0
C D:LEU204 3.7 30.3 1.0
OD1 D:ASP203 3.9 50.9 1.0
N D:LEU204 3.9 28.2 1.0
N D:PRO205 4.0 25.9 1.0
O D:HOH522 4.1 46.9 1.0
C D:ASP203 4.1 27.1 1.0
NH2 D:ARG199 4.1 33.9 1.0
CA D:LEU204 4.2 28.3 1.0
CA D:PRO205 4.3 23.5 1.0
CZ D:ARG199 4.5 43.2 1.0
O D:ARG199 4.5 34.5 1.0
O D:ASP203 4.5 33.5 1.0
NE D:ARG199 4.5 28.6 1.0
CA D:ASP203 4.5 30.6 1.0
CB D:ARG199 4.7 23.4 1.0
O D:HOH587 4.7 64.9 1.0
OD1 D:ASP244 4.8 32.7 1.0
CD D:PRO205 4.8 23.7 1.0
OD2 D:ASP244 4.8 26.1 1.0
CB D:PRO205 5.0 22.4 1.0

Reference:

P.J.Stogios, P.J.Stogios, T.Skarina, K.Michalska, M.Venkatesan, R.Di Leo, A.Savchenko, A.Joachimiak, K.J.F.Satchell, Center For Structural Biology Ofinfectious Diseases (Csbid), Center For Structural Genomics Ofinfectious Diseases (Csgid). N/A N/A.
Page generated: Tue Jul 30 03:59:57 2024

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