Chlorine in PDB 5tr9: Crystal Structure of A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad

Protein crystallography data

The structure of Crystal Structure of A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad, PDB code: 5tr9 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) 47.06 / 1.65
Space group I 21 3
Cell size a, b, c (Å), α, β, γ (°) 163.010, 163.010, 163.010, 90.00, 90.00, 90.00
R / Rfree (%) 14.8 / 16.3

Other elements in 5tr9:

The structure of Crystal Structure of A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Sodium (Na) 2 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 28;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad (pdb code 5tr9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 28 binding sites of Chlorine where determined in the Crystal Structure of A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad, PDB code: 5tr9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 28 in 5tr9

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Chlorine binding site 1 out of 28 in the Crystal Structure of A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad


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 A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:15.6
occ:1.00
 N A:ALA71 3.2 12.7 1.0
O A:HOH484 3.2 32.8 1.0
CB A:SER70 3.5 11.9 1.0
CA A:SER70 3.6 9.7 1.0
CB A:ALA74 3.8 14.0 1.0
C A:SER70 3.9 11.3 1.0
CB A:ALA71 4.0 12.0 1.0
CA A:ALA71 4.2 12.2 1.0
OE1 A:GLU140 4.4 17.8 0.6
CD A:GLU140 4.7 22.2 0.6
OE1 A:GLU78 4.7 21.6 0.4
OG A:SER70 4.9 12.9 1.0
CD A:GLU78 4.9 19.5 0.4
N A:SER70 4.9 10.0 1.0
OE2 A:GLU140 4.9 21.1 0.6

Chlorine binding site 2 out of 28 in 5tr9

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Chlorine binding site 2 out of 28 in the Crystal Structure of A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad


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 A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:17.1
occ:1.00
 OG1 A:THR128 3.0 12.6 1.0
O A:HOH479 3.1 16.2 1.0
O A:HOH654 3.1 19.0 1.0
O A:HOH694 3.2 45.4 1.0
ND2 A:ASN234 3.5 13.7 1.0
CB A:THR128 3.7 11.9 1.0
CB A:ASN234 3.8 11.5 1.0
CA A:GLY129 3.9 11.9 1.0
C A:THR128 3.9 11.1 1.0
N A:GLY129 4.0 10.9 1.0
O A:THR128 4.0 11.4 1.0
CE2 A:PHE267 4.1 14.6 1.0
N A:ASN234 4.1 12.0 1.0
O A:HOH636 4.1 17.8 1.0
CG A:ASN234 4.1 13.0 1.0
O1 A:EDO304 4.3 27.0 1.0
CA A:ASN234 4.4 11.7 1.0
CA A:THR128 4.5 10.4 1.0
O A:HOH699 4.6 45.2 1.0
C2A A:FAD301 4.8 14.8 1.0
N1A A:FAD301 4.8 13.5 1.0
CZ A:PHE267 4.8 16.0 1.0
CG2 A:THR128 4.9 15.0 1.0
C A:GLY129 4.9 12.3 1.0
N A:SER130 4.9 10.6 1.0

Chlorine binding site 3 out of 28 in 5tr9

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Chlorine binding site 3 out of 28 in the Crystal Structure of A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad


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 Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:15.6
occ:1.00
 ND1 A:HIS155 3.0 12.1 1.0
N A:PHE165 3.3 14.9 1.0
CA A:LEU163 3.5 14.4 1.0
C A:LEU163 3.5 15.5 1.0
N A:ASN166 3.5 21.5 1.0
CE1 A:HIS155 3.7 12.7 1.0
CB A:PHE165 3.7 14.1 1.0
N A:ILE164 3.7 14.6 1.0
C A:PHE165 3.7 19.7 1.0
CA A:PHE165 3.8 14.6 1.0
CB A:LEU163 3.8 13.6 1.0
CZ A:PHE187 3.9 17.4 1.0
O A:LEU163 3.9 17.1 1.0
CD2 A:LEU163 4.0 14.7 1.0
CA A:ASN166 4.1 20.8 1.0
CG A:HIS155 4.2 10.5 1.0
CD2 A:PHE165 4.2 15.5 1.0
CD1 A:ILE132 4.3 13.1 1.0
C A:ILE164 4.4 14.1 1.0
CG A:PHE165 4.4 16.5 1.0
CB A:ASN166 4.5 26.4 1.0
CE1 A:PHE187 4.5 17.3 1.0
O A:PHE165 4.5 20.6 1.0
CG A:LEU163 4.5 13.4 1.0
CB A:HIS155 4.5 10.7 1.0
CA A:ILE164 4.7 14.7 1.0
CD1 A:LEU169 4.7 19.1 1.0
CE2 A:PHE187 4.7 18.9 1.0
O A:GLU162 4.8 15.1 1.0
N A:LEU163 4.8 14.2 1.0
NE2 A:HIS155 4.9 13.0 1.0

Chlorine binding site 4 out of 28 in 5tr9

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Chlorine binding site 4 out of 28 in the Crystal Structure of A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad


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 Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:27.6
occ:1.00
 O A:HOH461 3.2 20.7 1.0
N A:THR101 3.2 17.8 1.0
O A:HOH720 3.3 33.2 1.0
CB A:THR101 3.8 18.8 1.0
CA A:ASP100 3.9 16.5 1.0
O A:HOH455 4.0 27.9 1.0
OG1 A:THR101 4.0 21.9 1.0
C A:ASP100 4.1 16.4 1.0
CA A:THR101 4.1 17.6 1.0
CB A:ASP100 4.2 15.1 1.0
OD1 A:ASP100 4.3 19.4 1.0
O A:THR101 4.4 19.2 1.0
CG A:ASP100 4.5 19.7 1.0
O A:HOH594 4.7 48.3 1.0
C A:THR101 4.8 17.8 1.0
O A:HOH676 4.8 43.5 1.0
O A:HOH519 5.0 26.6 1.0
O A:HOH609 5.0 23.8 1.0

Chlorine binding site 5 out of 28 in 5tr9

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Chlorine binding site 5 out of 28 in the Crystal Structure of A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad


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 Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:21.2
occ:1.00
 O A:HOH513 3.2 29.5 1.0
O A:HOH725 3.3 36.0 1.0
N A:VAL25 3.4 12.0 1.0
N A:GLN98 3.4 19.9 1.0
CA A:TRP24 3.8 12.3 1.0
O A:HOH409 3.9 28.8 1.0
CA A:GLN97 3.9 20.6 1.0
C A:TRP24 4.0 13.8 1.0
CG2 A:VAL25 4.1 15.3 1.0
CB A:GLN98 4.1 17.6 1.0
CB A:VAL25 4.1 13.2 1.0
C A:GLN97 4.1 18.2 1.0
CB A:GLN97 4.2 20.3 1.0
CA A:GLN98 4.2 17.4 1.0
CA A:VAL25 4.3 12.5 1.0
O A:HOH738 4.3 27.6 1.0
O A:VAL25 4.4 14.8 1.0
CB A:TRP24 4.6 14.5 1.0
O A:HOH585 4.7 43.2 1.0
N A:TRP24 4.8 12.2 1.0
C A:VAL25 4.8 13.8 1.0
O A:HOH506 4.9 20.3 1.0
O A:HOH747 4.9 45.7 1.0
O A:LEU23 4.9 16.8 1.0
O A:MET96 5.0 18.9 1.0

Chlorine binding site 6 out of 28 in 5tr9

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Chlorine binding site 6 out of 28 in the Crystal Structure of A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad


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 Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:23.4
occ:1.00
 O B:HOH432 3.0 21.1 1.0
OE2 B:GLU162 3.0 28.5 1.0
NE A:ARG193 3.1 23.5 1.0
NH1 A:ARG193 3.3 22.8 1.0
CZ A:ARG193 3.7 30.6 1.0
CD2 B:LEU32 3.8 17.4 1.0
C2 B:EDO303 3.8 32.0 1.0
CZ A:PHE159 3.8 17.7 1.0
CD B:GLU162 3.9 23.6 1.0
CG B:LEU32 4.0 14.0 1.0
CG B:GLU162 4.0 14.2 1.0
CD1 B:LEU32 4.2 16.9 1.0
CD A:ARG193 4.2 24.0 1.0
CG1 B:VAL82 4.5 14.4 0.8
CB B:LYS31 4.5 18.9 0.5
CB B:LYS31 4.5 18.6 0.5
CB A:ARG193 4.6 15.9 1.0
CE2 A:PHE159 4.6 16.9 1.0
C1 B:EDO303 4.7 35.3 1.0
CE1 A:PHE159 4.7 16.0 1.0
O2 B:EDO303 4.9 22.7 1.0
O1 B:EDO303 5.0 30.5 1.0
CG A:ARG193 5.0 19.4 1.0
NH2 A:ARG193 5.0 30.8 1.0

Chlorine binding site 7 out of 28 in 5tr9

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Chlorine binding site 7 out of 28 in the Crystal Structure of A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad


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 Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:28.2
occ:1.00
 N A:ALA195 3.1 20.9 0.6
O A:HOH411 3.2 33.0 1.0
N A:ALA195 3.2 24.6 0.4
CA A:ALA194 3.6 12.6 1.0
CB A:ALA194 3.8 19.8 1.0
CG2 B:THR29 3.8 17.6 1.0
CB A:ALA195 3.9 29.3 0.6
C A:ALA194 3.9 17.3 1.0
CB B:THR29 3.9 18.6 1.0
CA A:ALA195 4.1 22.3 0.6
CA B:THR29 4.2 17.2 1.0
CB A:ALA195 4.2 23.8 0.4
CG B:GLU161 4.3 16.7 1.0
CA A:ALA195 4.3 22.1 0.4
CD B:PRO30 4.3 18.8 1.0
CB B:GLU161 4.3 15.7 1.0
O A:ALA195 4.4 22.3 0.6
O B:HIS28 4.5 22.0 1.0
C A:ALA195 4.8 20.1 0.6
O A:ALA195 4.8 23.1 0.4
O B:HOH677 4.8 57.6 1.0
O A:ARG193 4.9 17.9 1.0
O B:HOH457 4.9 28.2 1.0
N A:ALA194 4.9 14.1 1.0

Chlorine binding site 8 out of 28 in 5tr9

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Chlorine binding site 8 out of 28 in the Crystal Structure of A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad


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 Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl312

b:28.3
occ:1.00
 O A:HOH716 2.9 47.7 1.0
N A:GLN85 3.1 15.2 1.0
NH2 B:ARG193 3.5 34.8 1.0
CB A:GLN85 3.7 18.3 1.0
CA A:ILE84 3.8 13.8 1.0
C A:ILE84 4.0 14.8 1.0
CA A:GLN85 4.0 16.6 1.0
CG2 A:ILE84 4.1 17.8 1.0
CZ B:ARG193 4.1 32.7 1.0
CD1 A:ILE84 4.3 18.2 1.0
O A:LEU83 4.3 16.6 1.0
O A:HOH701 4.3 50.9 1.0
NH1 B:ARG193 4.4 23.6 1.0
O A:HOH408 4.5 41.1 1.0
CB A:ILE84 4.5 13.2 1.0
OE1 A:GLN85 4.9 27.0 1.0
N A:ILE84 4.9 12.5 1.0
O A:GLN85 4.9 19.6 1.0
NE B:ARG193 5.0 25.8 1.0

Chlorine binding site 9 out of 28 in 5tr9

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Chlorine binding site 9 out of 28 in the Crystal Structure of A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad


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 Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl313

b:34.4
occ:1.00
 NE A:ARG44 3.2 57.7 1.0
NH2 A:ARG39 3.2 18.0 1.0
CG A:GLU72 3.4 14.5 0.5
N A:PHE45 3.5 15.0 1.0
O A:PHE45 3.5 14.9 1.0
CA A:ARG44 3.6 15.8 1.0
O A:HOH592 3.7 39.0 1.0
CD A:ARG44 3.8 38.7 1.0
O A:HOH525 3.8 55.5 1.0
O A:GLU72 3.9 19.9 1.0
OE1 A:GLU72 3.9 18.8 0.5
CB A:ARG44 4.0 18.9 1.0
CD A:GLU72 4.1 14.8 0.5
C A:ARG44 4.1 15.3 1.0
CZ A:ARG44 4.1 63.1 1.0
NH2 A:ARG44 4.2 61.2 1.0
O A:TYR43 4.4 21.9 1.0
C A:PHE45 4.4 16.7 1.0
CZ A:ARG39 4.4 18.3 1.0
CG A:ARG44 4.6 24.8 1.0
CA A:PHE45 4.6 13.9 1.0
CB A:GLU72 4.6 17.0 0.5
CB A:GLU72 4.6 14.6 0.5
C A:GLU72 4.7 19.3 1.0
CD1 A:PHE45 4.7 15.6 1.0
OE1 A:GLU72 4.8 18.6 0.5
N A:ARG44 4.8 18.2 1.0
CA A:GLU72 4.9 14.7 0.5
CA A:GLU72 4.9 14.6 0.5
CG A:GLU72 5.0 12.5 0.5

Chlorine binding site 10 out of 28 in 5tr9

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Chlorine binding site 10 out of 28 in the Crystal Structure of A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad


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 Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl314

b:18.9
occ:0.71
 O A:HOH540 3.1 46.2 1.0
O A:HOH680 3.1 40.3 1.0
N A:GLU236 3.3 13.5 1.0
CD A:PRO235 3.6 12.9 1.0
CB A:GLU236 3.7 14.3 1.0
N A:PRO235 3.7 12.7 1.0
OD1 A:ASN234 3.7 13.8 1.0
CB A:ASN234 3.8 11.5 1.0
CB A:PRO235 4.0 14.5 1.0
CA A:GLU236 4.1 14.8 1.0
CG A:ASN234 4.2 13.0 1.0
C A:PRO235 4.2 14.1 1.0
C A:ASN234 4.2 12.2 1.0
CG A:PRO235 4.2 14.9 1.0
CA A:PRO235 4.2 12.7 1.0
CA A:ASN234 4.5 11.7 1.0
O A:HOH702 4.6 50.7 1.0
CZ A:PHE267 4.6 16.0 1.0
O A:HOH601 4.7 50.2 1.0
CE1 A:PHE267 4.8 16.8 1.0
OE2 A:GLU236 4.8 22.3 1.0
O A:ASN234 4.9 11.7 1.0

Reference:

S.J.Mayclin, D.Fox Iii, D.D.Lorimer, T.E.Edwards. Crystal Structure of A Ferredoxin Nadp+ Reductase From Neisseria Gonorrhoeae with Bound Fad To Be Published.
Page generated: Sat Dec 12 12:29:08 2020

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