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Chlorine in PDB 3ip1: Structure of Putative Alcohol Dehydrogenase (TM_042) From Thermotoga Maritima

Protein crystallography data

The structure of Structure of Putative Alcohol Dehydrogenase (TM_042) From Thermotoga Maritima, PDB code: 3ip1 was solved by U.A.Ramagopal, R.Toro, S.K.Burley, S.C.Almo, New York Sgx Research Centerfor Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.09
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.365, 131.555, 161.559, 90.00, 90.00, 90.00
R / Rfree (%) 20.7 / 24.8

Other elements in 3ip1:

The structure of Structure of Putative Alcohol Dehydrogenase (TM_042) From Thermotoga Maritima also contains other interesting chemical elements:

Cadmium (Cd) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Putative Alcohol Dehydrogenase (TM_042) From Thermotoga Maritima (pdb code 3ip1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Putative Alcohol Dehydrogenase (TM_042) From Thermotoga Maritima, PDB code: 3ip1:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3ip1

Go back to Chlorine Binding Sites List in 3ip1
Chlorine binding site 1 out of 4 in the Structure of Putative Alcohol Dehydrogenase (TM_042) From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Putative Alcohol Dehydrogenase (TM_042) From Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:28.8
occ:1.00
 O A:HOH468 3.3 27.7 1.0
NE D:ARG333 3.3 25.6 1.0
ND2 A:ASN143 3.3 25.1 1.0
NE2 A:HIS345 3.4 28.7 1.0
CA A:PHE141 3.4 26.5 1.0
C A:PHE141 3.6 26.5 1.0
CD2 A:HIS144 3.6 23.0 1.0
CB A:ASN143 3.6 25.2 1.0
N A:ASN143 3.6 24.9 1.0
CB A:PHE141 3.7 26.0 1.0
N A:PRO142 3.9 25.9 1.0
CD A:PRO142 3.9 25.8 1.0
CG A:ASN143 3.9 25.8 1.0
CD1 A:PHE141 4.0 24.9 1.0
O A:PHE141 4.0 26.7 1.0
CD D:ARG333 4.0 26.8 1.0
CA A:ASN143 4.1 24.9 1.0
NH1 D:ARG333 4.1 25.0 1.0
CZ D:ARG333 4.1 27.5 1.0
CD2 A:HIS345 4.2 27.2 1.0
NE2 A:HIS144 4.2 22.3 1.0
CG A:PHE141 4.4 25.9 1.0
O A:HOH451 4.4 33.9 1.0
CE1 A:HIS345 4.4 29.1 1.0
C A:PRO142 4.7 25.3 1.0
C A:ASN143 4.7 24.2 1.0
N A:HIS144 4.7 23.8 1.0
O A:GLY140 4.7 26.6 1.0
CG A:HIS144 4.7 22.2 1.0
N A:PHE141 4.8 26.5 1.0
CG A:PRO142 4.8 25.1 1.0
CA A:PRO142 4.9 25.4 1.0
O A:SER343 4.9 24.4 1.0

Chlorine binding site 2 out of 4 in 3ip1

Go back to Chlorine Binding Sites List in 3ip1
Chlorine binding site 2 out of 4 in the Structure of Putative Alcohol Dehydrogenase (TM_042) From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Putative Alcohol Dehydrogenase (TM_042) From Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:25.4
occ:1.00
 NE2 B:HIS345 3.1 26.2 1.0
ND2 B:ASN143 3.2 24.0 1.0
O B:HOH464 3.4 23.1 1.0
CA B:PHE141 3.4 25.0 1.0
NE C:ARG333 3.4 23.9 1.0
C B:PHE141 3.5 25.0 1.0
CB B:ASN143 3.5 25.0 1.0
N B:ASN143 3.5 24.5 1.0
CD2 B:HIS144 3.7 22.2 1.0
CB B:PHE141 3.7 25.2 1.0
CG B:ASN143 3.8 25.0 1.0
N B:PRO142 3.8 24.5 1.0
CD1 B:PHE141 3.9 23.1 1.0
O B:PHE141 4.0 25.4 1.0
CE1 B:HIS345 4.0 26.8 1.0
CD B:PRO142 4.0 24.9 1.0
CA B:ASN143 4.0 24.9 1.0
CD C:ARG333 4.1 24.9 1.0
CD2 B:HIS345 4.1 25.2 1.0
CZ C:ARG333 4.2 24.9 1.0
NH1 C:ARG333 4.2 24.6 1.0
NE2 B:HIS144 4.3 23.3 1.0
CG B:PHE141 4.4 23.9 1.0
O B:GLY140 4.6 25.5 1.0
C B:PRO142 4.6 24.9 1.0
O B:HOH440 4.6 34.1 1.0
CG B:PRO142 4.7 23.8 1.0
N B:PHE141 4.7 25.5 1.0
C B:ASN143 4.7 24.4 1.0
N B:HIS144 4.7 23.8 1.0
CA B:PRO142 4.8 24.6 1.0
O B:SER343 4.8 23.7 1.0
CG B:HIS144 4.9 23.0 1.0
OD1 B:ASN143 5.0 24.3 1.0

Chlorine binding site 3 out of 4 in 3ip1

Go back to Chlorine Binding Sites List in 3ip1
Chlorine binding site 3 out of 4 in the Structure of Putative Alcohol Dehydrogenase (TM_042) From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Putative Alcohol Dehydrogenase (TM_042) From Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl502

b:27.6
occ:1.00
 NE2 C:HIS345 3.2 28.5 1.0
O C:HOH466 3.3 29.6 1.0
NE B:ARG333 3.3 24.2 1.0
ND2 C:ASN143 3.3 25.8 1.0
CA C:PHE141 3.4 26.1 1.0
C C:PHE141 3.5 25.7 1.0
CD2 C:HIS144 3.6 23.1 1.0
CB C:PHE141 3.6 25.9 1.0
N C:ASN143 3.7 25.0 1.0
CB C:ASN143 3.7 24.3 1.0
N C:PRO142 3.9 25.9 1.0
CD1 C:PHE141 3.9 26.6 1.0
CG C:ASN143 4.0 25.5 1.0
O C:PHE141 4.0 26.0 1.0
CD B:ARG333 4.0 25.5 1.0
CD C:PRO142 4.0 24.9 1.0
CD2 C:HIS345 4.1 28.7 1.0
CZ B:ARG333 4.1 23.0 1.0
CE1 C:HIS345 4.1 29.3 1.0
NH1 B:ARG333 4.2 23.3 1.0
NE2 C:HIS144 4.2 27.6 1.0
CA C:ASN143 4.2 24.5 1.0
CG C:PHE141 4.3 27.0 1.0
O C:HOH543 4.4 26.7 1.0
O C:GLY140 4.6 27.9 1.0
N C:PHE141 4.7 26.6 1.0
C C:PRO142 4.7 24.9 1.0
N C:HIS144 4.7 23.9 1.0
O C:SER343 4.8 27.6 1.0
C C:ASN143 4.8 24.1 1.0
CG C:HIS144 4.8 25.4 1.0
CA C:PRO142 4.9 25.3 1.0

Chlorine binding site 4 out of 4 in 3ip1

Go back to Chlorine Binding Sites List in 3ip1
Chlorine binding site 4 out of 4 in the Structure of Putative Alcohol Dehydrogenase (TM_042) From Thermotoga Maritima


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Putative Alcohol Dehydrogenase (TM_042) From Thermotoga Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl502

b:28.7
occ:1.00
 NE2 D:HIS345 3.1 27.8 1.0
ND2 D:ASN143 3.2 26.9 1.0
O A:HOH411 3.3 31.1 1.0
NE A:ARG333 3.3 24.2 1.0
CA D:PHE141 3.4 26.3 1.0
C D:PHE141 3.5 26.3 1.0
N D:ASN143 3.5 26.9 1.0
CB D:ASN143 3.6 27.4 1.0
CB D:PHE141 3.6 26.6 1.0
CD2 D:HIS144 3.7 27.3 1.0
N D:PRO142 3.8 26.5 1.0
CG D:ASN143 3.9 28.9 1.0
CD D:PRO142 4.0 26.6 1.0
NH1 A:ARG333 4.0 26.6 1.0
O D:PHE141 4.0 26.9 1.0
CD1 D:PHE141 4.0 24.6 1.0
CD2 D:HIS345 4.1 27.1 1.0
CZ A:ARG333 4.1 24.9 1.0
CE1 D:HIS345 4.1 27.6 1.0
CA D:ASN143 4.1 27.4 1.0
CD A:ARG333 4.1 24.4 1.0
NE2 D:HIS144 4.3 26.1 1.0
CG D:PHE141 4.4 25.4 1.0
C D:PRO142 4.6 26.8 1.0
O D:HOH534 4.6 22.7 1.0
O D:GLY140 4.7 26.6 1.0
N D:HIS144 4.7 27.5 1.0
C D:ASN143 4.7 27.3 1.0
O D:SER343 4.8 29.6 1.0
N D:PHE141 4.8 26.5 1.0
CA D:PRO142 4.8 26.6 1.0
CG D:HIS144 4.9 27.9 1.0
CG D:PRO142 4.9 26.9 1.0

Reference:

U.A.Ramagopal, R.Toro, S.K.Burley, S.C.Almo. Structure of Putative Alcohol Dehydrogenase (TM_042) From Thermotoga Maritima To Be Published.
Page generated: Sat Dec 12 09:48:38 2020

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