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Chlorine in PDB 4h15: Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21

Protein crystallography data

The structure of Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21, PDB code: 4h15 was solved by A.Ghosh, S.C.Almo, New York Structural Genomics Research Consortium(Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.79 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 65.304, 119.143, 67.156, 90.00, 105.83, 90.00
R / Rfree (%) 15 / 16.7

Other elements in 4h15:

The structure of Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 also contains other interesting chemical elements:

Calcium (Ca) 12 atoms

Chlorine Binding Sites:

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 - 42;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 (pdb code 4h15). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 42 binding sites of Chlorine where determined in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21, PDB code: 4h15:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 42 in 4h15

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Chlorine binding site 1 out of 42 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:9.1
occ:1.00
OG A:SER166 3.0 10.1 1.0
O D:HOH505 3.2 9.0 1.0
NZ A:LYS163 3.2 6.7 1.0
CB A:SER166 3.6 7.0 1.0
N A:LYS167 3.7 6.7 1.0
CG D:PRO219 3.7 8.3 1.0
O D:GLY254 3.7 8.4 1.0
C A:SER166 3.8 6.8 1.0
CA D:GLY254 3.8 6.5 1.0
CA A:GLY246 3.8 6.5 1.0
CE A:LYS163 3.8 5.9 1.0
CG A:LYS167 3.8 7.0 1.0
CA A:LYS167 3.9 7.6 1.0
CB D:PRO219 4.0 8.9 1.0
O A:SER166 4.0 8.0 1.0
CD A:LYS163 4.1 5.4 1.0
C D:GLY254 4.2 7.9 1.0
CA A:SER166 4.3 6.9 1.0
O A:LYS163 4.4 6.5 1.0
CB A:LYS167 4.5 7.9 1.0
N A:GLY246 4.5 6.7 1.0
OG A:SER170 4.7 12.5 1.0
O A:GLY246 4.8 9.4 1.0
C A:GLY246 4.8 8.0 1.0
CD D:PRO219 4.8 8.6 1.0
O A:THR245 4.9 7.5 1.0
C A:THR245 5.0 6.5 1.0

Chlorine binding site 2 out of 42 in 4h15

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Chlorine binding site 2 out of 42 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:20.6
occ:1.00
O A:HOH514 3.0 39.1 1.0
CL A:CL306 3.1 34.3 1.0
N A:GLY20 3.3 18.6 1.0
N A:GLU187 3.3 14.5 1.0
CG A:GLU187 3.3 29.7 1.0
CA A:GLY20 3.6 13.0 1.0
CB A:THR186 3.8 13.1 1.0
CB A:GLU187 3.9 19.0 1.0
CB A:LYS19 3.9 30.8 1.0
CA A:THR186 3.9 12.0 1.0
C A:THR186 4.1 13.5 1.0
CA A:GLU187 4.2 15.5 1.0
C A:LYS19 4.3 15.0 1.0
CG A:LYS19 4.3 26.1 1.0
CD A:LYS19 4.4 35.0 1.0
CG2 A:THR186 4.5 13.4 1.0
CD A:GLU187 4.5 40.7 1.0
CA A:LYS19 4.6 18.3 1.0
O A:HOH559 4.8 31.4 1.0
OE1 A:GLU187 5.0 36.9 1.0
OG1 A:THR186 5.0 14.3 1.0

Chlorine binding site 3 out of 42 in 4h15

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Chlorine binding site 3 out of 42 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:19.8
occ:1.00
O A:HOH556 3.3 25.3 1.0
O A:HOH544 3.3 9.9 1.0
N A:GLU146 3.3 8.1 1.0
CB A:GLU146 3.4 9.8 1.0
CB A:LEU144 3.5 7.8 0.6
CB A:LEU144 3.5 8.8 0.5
N A:PRO145 3.6 6.4 1.0
CD A:PRO145 3.7 5.7 1.0
C A:LEU144 3.7 6.8 1.0
CA A:LEU144 3.9 6.9 0.6
CA A:LEU144 3.9 7.5 0.5
CA A:GLU146 4.0 9.5 1.0
CG A:LEU144 4.0 7.2 0.6
CD2 A:LEU144 4.0 10.4 0.6
C A:PRO145 4.3 7.7 1.0
CG A:PRO145 4.3 8.8 1.0
O A:LEU144 4.3 6.4 1.0
CA A:PRO145 4.4 6.9 1.0
CG A:LEU144 4.6 11.9 0.5
CG A:GLU146 4.8 14.0 1.0
CD1 A:LEU144 4.8 13.1 0.5
CD2 A:LEU144 4.9 14.1 0.5

Chlorine binding site 4 out of 42 in 4h15

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Chlorine binding site 4 out of 42 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:38.6
occ:1.00
O A:HOH441 3.2 16.7 1.0
O A:ASN6 3.4 16.3 1.0
N A:ASN6 3.4 18.7 1.0
CA A:LEU5 3.7 17.2 1.0
O A:HOH534 3.8 37.1 1.0
O A:PHE4 3.8 19.1 1.0
CG A:ARG240 3.9 10.9 1.0
C A:LEU5 4.1 17.7 1.0
N A:ASP239 4.2 10.7 1.0
CB A:SER238 4.2 10.2 1.0
CG A:LEU5 4.3 21.1 1.0
C A:ASN6 4.3 14.6 1.0
N A:ARG240 4.4 10.3 1.0
CB A:LEU5 4.4 21.2 1.0
CA A:ASN6 4.4 15.2 1.0
CB A:ASP239 4.5 13.3 1.0
NE A:ARG240 4.5 17.2 1.0
OG A:SER238 4.5 9.7 1.0
N A:LEU5 4.6 15.8 1.0
C A:PHE4 4.6 17.8 1.0
CA A:ASP239 4.7 11.1 1.0
CD A:ARG240 4.7 16.4 1.0
CG A:ASN6 4.8 24.0 1.0
OD1 A:ASN6 4.8 21.0 1.0
C A:ASP239 4.8 11.9 1.0
CB A:ARG240 4.9 10.2 1.0
ND2 A:ASN6 4.9 24.7 1.0

Chlorine binding site 5 out of 42 in 4h15

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Chlorine binding site 5 out of 42 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:34.3
occ:1.00
O A:HOH559 2.9 31.4 1.0
O A:HOH570 2.9 28.7 1.0
N A:ALA188 3.1 17.5 1.0
CL A:CL303 3.1 20.6 1.0
CD A:LYS19 3.3 35.0 1.0
N A:GLU187 3.5 14.5 1.0
CB A:THR186 3.5 13.1 1.0
CB A:ALA188 3.6 24.6 1.0
CB A:GLU187 3.8 19.0 1.0
OG1 A:THR186 3.8 14.3 1.0
CA A:GLU187 3.9 15.5 1.0
CA A:ALA188 4.0 20.1 1.0
C A:GLU187 4.0 15.6 1.0
CG A:LYS19 4.0 26.1 1.0
C A:THR186 4.2 13.5 1.0
CG A:GLU187 4.3 29.7 1.0
CA A:THR186 4.4 12.0 1.0
CG2 A:THR186 4.5 13.4 1.0
CE A:LYS19 4.5 36.1 1.0
O A:HOH564 4.5 30.2 1.0
CB A:LYS19 4.6 30.8 1.0
NH2 A:ARG191 4.7 33.0 1.0
NZ A:LYS19 4.7 41.5 1.0
N A:GLY20 4.9 18.6 1.0

Chlorine binding site 6 out of 42 in 4h15

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Chlorine binding site 6 out of 42 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:21.9
occ:0.54
O A:HOH524 2.8 30.8 1.0
O A:HOH478 2.8 21.9 1.0
N A:ILE218 3.0 8.9 1.0
O A:HOH525 3.4 32.2 1.0
CA A:GLY217 3.4 10.9 1.0
O A:ILE218 3.5 8.7 1.0
SE A:MSE212 3.5 25.4 0.5
C A:GLY217 3.7 10.1 1.0
CE A:MSE212 3.9 22.6 0.5
CB A:MSE212 4.0 19.0 0.5
CA A:ILE218 4.0 7.8 1.0
CB A:MSE212 4.0 15.1 0.5
C A:ILE218 4.0 8.1 1.0
CG A:MSE212 4.3 17.6 0.5
CB A:ILE218 4.4 7.9 1.0
SE A:MSE212 4.4 14.1 0.5
CE A:MSE212 4.5 13.8 0.5
N A:GLY217 4.7 10.3 1.0
CG A:MSE212 4.8 10.5 0.5
O A:HOH452 4.8 22.0 1.0
CG1 A:ILE218 4.8 10.2 1.0
O A:HOH515 4.9 25.4 0.4
O A:MSE212 4.9 13.4 1.0
O A:GLY217 4.9 11.5 1.0
OD1 A:ASP213 4.9 24.4 1.0
C A:MSE212 4.9 13.8 1.0
O D:HOH582 4.9 21.1 0.4

Chlorine binding site 7 out of 42 in 4h15

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Chlorine binding site 7 out of 42 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:43.1
occ:1.00
NE2 A:GLN119 3.3 31.4 1.0
CG A:ARG118 3.5 18.3 1.0
CD A:ARG118 3.8 13.2 1.0
NE A:ARG118 4.0 13.7 1.0
O C:SER95 4.4 16.5 1.0
O A:ARG118 4.4 15.1 1.0
O A:HOH448 4.4 15.3 1.0
CD A:GLN119 4.5 21.9 1.0
CB A:ARG118 4.6 17.8 1.0
C A:ARG118 4.8 11.3 1.0
CZ A:ARG118 5.0 12.8 1.0

Chlorine binding site 8 out of 42 in 4h15

Go back to Chlorine Binding Sites List in 4h15
Chlorine binding site 8 out of 42 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:27.1
occ:1.00
O D:HOH611 2.2 33.4 1.0
O A:HOH530 2.7 38.9 1.0
NZ A:LYS167 2.7 7.3 1.0
O D:HOH690 2.9 52.0 1.0
O D:HOH528 3.1 12.8 1.0
CE A:LYS167 3.5 6.7 1.0
CB D:PRO257 3.7 6.5 1.0
CD A:LYS167 3.8 7.0 1.0
O A:HOH444 4.1 19.9 1.0
CA D:CA303 4.2 19.1 0.4
CD1 C:LEU142 4.3 7.8 1.0
O C:PRO143 4.4 7.8 1.0
O D:PRO257 4.6 6.9 1.0
CD2 C:LEU144 4.7 19.3 0.3
CG C:LEU142 4.7 5.1 1.0
CA D:PRO257 4.8 6.4 1.0
CG D:PRO257 4.8 6.5 1.0
O D:HOH597 4.9 32.1 1.0
CG A:LYS167 4.9 7.0 1.0
O D:HOH505 5.0 9.0 1.0

Chlorine binding site 9 out of 42 in 4h15

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Chlorine binding site 9 out of 42 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:27.9
occ:0.39
CL B:CL307 2.1 27.0 0.4
O B:HOH545 2.5 19.6 0.5
O B:ALA259 2.8 12.2 1.0
CB A:VAL141 3.3 7.9 1.0
CG1 A:VAL141 3.3 13.0 1.0
C B:ALA259 3.6 9.8 1.0
O B:HOH607 3.7 30.2 1.0
N B:ALA259 3.8 6.3 1.0
CA A:VAL141 3.8 6.1 1.0
O B:HOH545 4.0 35.4 0.5
CB B:THR258 4.0 7.4 1.0
CA B:ALA259 4.1 6.8 1.0
O A:HOH435 4.1 14.8 1.0
O B:HOH517 4.1 22.6 1.0
O A:VAL141 4.1 6.1 1.0
CB B:ALA259 4.3 8.3 1.0
C B:THR258 4.4 6.8 1.0
C A:VAL141 4.5 5.6 1.0
OXT B:ALA259 4.6 10.7 1.0
CG2 A:VAL141 4.6 7.6 1.0
OG1 B:THR258 4.6 8.0 1.0
CA B:THR258 4.7 5.5 1.0
O B:HOH462 4.7 17.6 1.0
O A:HOH520 4.8 27.8 1.0
CG2 B:THR258 4.8 8.0 1.0
NH1 C:ARG140 4.9 15.5 1.0

Chlorine binding site 10 out of 42 in 4h15

Go back to Chlorine Binding Sites List in 4h15
Chlorine binding site 10 out of 42 in the Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21


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 Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:13.4
occ:1.00
O A:HOH425 2.9 12.9 1.0
O C:HOH515 3.0 33.7 1.0
N A:ASP99 3.1 8.8 1.0
CG A:ASP99 3.6 12.2 1.0
CA A:SER98 3.8 7.4 1.0
OD1 A:ASP99 3.8 13.1 1.0
CB A:ASP99 3.8 10.0 1.0
NH1 C:ARG118 3.9 13.5 1.0
OD2 A:ASP99 3.9 19.2 1.0
C A:SER98 3.9 7.3 1.0
CB A:SER98 3.9 7.9 1.0
NH2 C:ARG118 4.0 13.9 1.0
CZ C:ARG118 4.0 12.6 1.0
CA A:ASP99 4.1 10.1 1.0
NE C:ARG118 4.8 11.4 1.0

Reference:

A.Ghosh, R.Bhoshle, R.Toro, A.Gizzi, B.Hillerich, R.Seidel, S.C.Almo, New York Structural Genomics Research Consortium. Crystal Structure of A Short Chain Alcohol Dehydrogenase-Related Dehydrogenase (Target Id Nysgrc-011812) From Sinorhizobium Meliloti 1021 in Space Group P21 To Be Published.
Page generated: Sat Dec 12 10:41:12 2020

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