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Chlorine in PDB 2jif: Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb)

Protein crystallography data

The structure of Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb), PDB code: 2jif was solved by A.C.W.Pike, V.Hozjan, C.Smee, F.H.Niesen, K.L.Kavanagh, C.Umeano, A.P.Turnbull, F.Von Delft, J.Weigelt, A.Edwards, C.H.Arrowsmith, M.Sundstrom, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 70.00 / 2.00
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 150.245, 150.245, 201.586, 90.00, 90.00, 120.00
R / Rfree (%) 18.4 / 20.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb) (pdb code 2jif). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb), PDB code: 2jif:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 2jif

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Chlorine binding site 1 out of 10 in the Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb)


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Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1436

b:44.2
occ:1.00
 N A:ASP108 3.1 29.9 1.0
NH2 A:ARG151 3.2 31.8 0.5
CG A:ARG151 3.6 30.7 0.5
CB A:ASP108 3.6 30.6 1.0
CG A:ARG151 3.6 30.4 0.5
CD2 A:TYR111 3.7 33.8 1.0
CE2 A:TYR111 3.8 34.4 1.0
CA A:VAL107 3.8 28.9 1.0
NE A:ARG151 3.8 32.1 0.5
CD A:ARG151 3.9 31.8 0.5
C A:VAL107 3.9 29.4 1.0
CG1 A:VAL107 3.9 28.9 1.0
CA A:ASP108 3.9 30.4 1.0
CD1 A:LEU163 4.0 24.9 1.0
CD A:ARG151 4.1 31.1 0.5
CZ A:ARG151 4.4 32.0 0.5
CB A:VAL107 4.4 28.9 1.0
O A:GLU106 4.6 27.8 1.0
CB A:ARG151 4.6 30.1 1.0
NE A:ARG151 4.7 31.8 0.5
CG2 A:VAL107 4.9 29.6 1.0
N A:VAL107 5.0 28.5 1.0

Chlorine binding site 2 out of 10 in 2jif

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Chlorine binding site 2 out of 10 in the Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1437

b:48.3
occ:1.00
 OG A:SER259 3.2 27.2 1.0
O A:HOH2098 3.4 34.3 1.0
N A:SER259 3.5 27.2 1.0
ND1 A:HIS213 3.5 38.0 1.0
O A:HOH2099 3.7 25.8 1.0
CB A:SER259 3.7 27.7 1.0
CA A:SER210 3.8 26.8 1.0
CE1 A:PHE138 3.9 32.6 1.0
O A:ALA257 4.1 26.4 1.0
CD1 A:PHE138 4.1 29.9 1.0
CA A:SER259 4.2 27.3 1.0
CE1 A:HIS213 4.3 38.5 1.0
CB A:MET89 4.4 31.1 1.0
CA A:SER258 4.4 27.1 1.0
C A:SER258 4.4 27.2 1.0
CB A:SER210 4.5 26.8 1.0
C A:SER210 4.5 27.2 1.0
CG A:HIS213 4.5 35.8 1.0
N A:SER210 4.5 26.1 1.0
O A:SER210 4.7 27.6 1.0
OG A:SER210 4.7 26.4 1.0
CB A:HIS213 4.7 34.0 1.0
O A:SER259 4.9 26.9 1.0
CG A:MET89 4.9 33.9 1.0
N A:HIS213 5.0 32.7 1.0

Chlorine binding site 3 out of 10 in 2jif

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Chlorine binding site 3 out of 10 in the Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1436

b:49.2
occ:1.00
 NE B:ARG151 3.0 33.1 0.5
N B:ASP108 3.2 28.0 1.0
CD B:ARG151 3.5 31.0 0.5
CB B:ASP108 3.6 28.7 1.0
CG B:ARG151 3.6 31.1 0.5
CG B:ARG151 3.7 31.6 0.5
NH2 B:ARG151 3.7 32.9 0.5
CZ B:ARG151 3.7 33.4 0.5
CD B:ARG151 3.8 31.9 0.5
CD2 B:TYR111 3.8 33.2 1.0
CE2 B:TYR111 3.8 33.0 1.0
CA B:VAL107 4.0 27.2 1.0
CA B:ASP108 4.0 28.6 1.0
CG1 B:VAL107 4.0 26.9 1.0
C B:VAL107 4.0 27.5 1.0
CD1 B:LEU163 4.2 23.0 1.0
CB B:VAL107 4.5 27.0 1.0
CB B:ARG151 4.6 30.9 1.0
O B:GLU106 4.7 27.7 1.0
NE B:ARG151 4.9 30.3 0.5
CG B:ASP108 4.9 30.1 1.0
NH1 B:ARG151 4.9 33.5 0.5

Chlorine binding site 4 out of 10 in 2jif

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Chlorine binding site 4 out of 10 in the Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1437

b:54.0
occ:1.00
 OG B:SER259 3.1 27.3 1.0
ND1 B:HIS213 3.3 38.4 1.0
O B:HOH2101 3.3 41.3 1.0
N B:SER259 3.4 27.9 1.0
CB B:SER259 3.6 28.1 1.0
CA B:SER210 3.7 26.1 1.0
O B:HOH2102 3.9 26.9 1.0
CE1 B:PHE138 3.9 32.0 1.0
CE1 B:HIS213 4.1 39.1 1.0
CD1 B:PHE138 4.1 30.9 1.0
O B:ALA257 4.1 26.4 1.0
CA B:SER259 4.1 27.8 1.0
C B:SER210 4.4 26.7 1.0
CG B:HIS213 4.4 35.1 1.0
CB B:SER210 4.4 26.6 1.0
CB B:MET89 4.4 31.9 1.0
C B:SER258 4.4 27.9 1.0
CA B:SER258 4.4 27.4 1.0
O B:SER210 4.5 26.4 1.0
N B:SER210 4.5 25.9 1.0
CB B:HIS213 4.7 32.6 1.0
OG B:SER210 4.7 26.0 1.0
CG B:MET89 4.9 34.3 1.0
O B:SER259 4.9 28.3 1.0

Chlorine binding site 5 out of 10 in 2jif

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Chlorine binding site 5 out of 10 in the Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1438

b:44.8
occ:1.00
 OH B:TYR373 3.5 30.4 1.0
OH A:TYR373 3.5 30.9 1.0
CE1 A:TYR373 3.7 31.2 1.0
NE2 B:GLN342 3.7 35.4 1.0
CE1 B:TYR373 3.7 29.6 1.0
CZ B:TYR373 4.0 29.3 1.0
CZ A:TYR373 4.1 30.2 1.0
NE2 A:GLN342 4.1 34.2 1.0
CG B:GLN342 4.5 29.5 1.0
CD B:GLN342 4.6 33.9 1.0
CG A:GLN342 4.8 29.4 1.0
CD1 B:ILE377 4.8 24.2 0.5
CD1 A:TYR373 4.9 30.3 1.0
CD1 B:TYR373 4.9 30.5 1.0
CD1 A:ILE377 4.9 27.4 0.5
O B:HOH2160 5.0 42.5 1.0
CD A:GLN342 5.0 30.6 1.0

Chlorine binding site 6 out of 10 in 2jif

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Chlorine binding site 6 out of 10 in the Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1436

b:38.0
occ:1.00
 NE C:ARG151 3.2 30.6 0.3
N C:ASP108 3.3 26.8 1.0
NH1 C:ARG151 3.4 32.8 0.3
CD C:ARG151 3.5 31.7 0.3
CD C:ARG151 3.5 30.4 0.3
CG C:ARG151 3.6 30.9 0.3
CG C:ARG151 3.6 31.4 0.3
CG C:ARG151 3.6 31.1 0.3
CB C:ASP108 3.7 28.5 1.0
CE2 C:TYR111 3.8 32.7 1.0
CD2 C:TYR111 3.8 33.0 1.0
CD C:ARG151 3.9 30.9 0.3
CD1 C:LEU163 4.0 27.6 1.0
CA C:VAL107 4.0 25.6 1.0
CA C:ASP108 4.1 28.2 1.0
CG1 C:VAL107 4.1 25.7 1.0
C C:VAL107 4.1 26.1 1.0
CZ C:ARG151 4.2 31.2 0.3
NH2 C:ARG151 4.3 30.9 0.3
CZ C:ARG151 4.3 32.8 0.3
NE C:ARG151 4.3 32.3 0.3
CB C:ARG151 4.5 30.7 1.0
CB C:VAL107 4.6 25.6 1.0
O C:GLU106 4.9 26.4 1.0
NE C:ARG151 5.0 29.8 0.3

Chlorine binding site 7 out of 10 in 2jif

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Chlorine binding site 7 out of 10 in the Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1437

b:50.9
occ:1.00
 O C:HOH2141 2.9 15.7 1.0
N C:SER259 3.1 26.7 1.0
OG C:SER259 3.3 26.1 1.0
O C:ALA257 3.7 26.4 1.0
CA C:SER258 3.8 26.8 1.0
CA C:SER210 3.9 26.6 1.0
CB C:SER259 3.9 26.8 1.0
C C:SER258 3.9 26.8 1.0
CD1 C:PHE138 3.9 27.6 1.0
O C:HOH2140 4.0 23.3 1.0
CA C:SER259 4.1 26.8 1.0
O C:HOH2115 4.3 29.5 1.0
OG C:SER210 4.3 28.2 1.0
CE1 C:PHE138 4.4 26.5 1.0
CB C:SER210 4.4 27.0 1.0
N C:SER210 4.4 26.3 1.0
CE C:MET89 4.5 25.0 1.0
OG C:SER258 4.5 27.4 1.0
C C:ALA257 4.6 25.9 1.0
CB C:SER258 4.7 27.0 1.0
N C:SER258 4.7 26.6 1.0
O C:SER259 4.7 26.6 1.0
C C:SER210 4.8 25.9 1.0
CG C:PHE138 4.8 26.5 1.0
SD C:MET89 4.9 27.9 1.0
C C:SER259 4.9 26.9 1.0
CB C:MET89 5.0 25.0 1.0

Chlorine binding site 8 out of 10 in 2jif

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Chlorine binding site 8 out of 10 in the Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1439

b:30.4
occ:1.00
 N D:ASP108 3.1 26.4 1.0
NE D:ARG151 3.1 28.0 0.5
CD D:ARG151 3.3 29.3 0.5
CG D:ARG151 3.6 28.9 0.5
CB D:ASP108 3.7 27.8 1.0
CG D:ARG151 3.7 28.4 0.5
CD2 D:TYR111 3.8 29.3 1.0
NH2 D:ARG151 3.8 29.4 0.5
CE2 D:TYR111 3.8 30.3 1.0
CA D:VAL107 3.8 26.2 1.0
CZ D:ARG151 3.9 29.4 0.5
CD D:ARG151 3.9 28.4 0.5
C D:VAL107 4.0 26.0 1.0
CA D:ASP108 4.0 27.3 1.0
CG1 D:VAL107 4.1 25.1 1.0
CD1 D:LEU163 4.1 23.1 1.0
CB D:VAL107 4.5 26.0 1.0
O D:GLU106 4.5 27.3 1.0
CB D:ARG151 4.6 27.8 1.0
NE D:ARG151 4.8 30.5 0.5
CG2 D:VAL107 4.9 27.6 1.0
N D:VAL107 5.0 26.5 1.0

Chlorine binding site 9 out of 10 in 2jif

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Chlorine binding site 9 out of 10 in the Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1440

b:51.0
occ:1.00
 OG D:SER259 3.2 27.1 1.0
N D:SER259 3.4 27.2 1.0
O D:HOH2154 3.6 25.4 1.0
ND1 D:HIS213 3.7 40.3 1.0
O D:HOH2153 3.7 23.4 1.0
CA D:SER210 3.8 26.6 1.0
CB D:SER259 3.8 27.8 1.0
CE1 D:PHE138 3.9 36.5 1.0
CD1 D:PHE138 4.0 34.5 1.0
O D:ALA257 4.1 27.1 1.0
CA D:SER259 4.2 27.2 1.0
CA D:SER258 4.3 27.9 1.0
C D:SER258 4.3 28.0 1.0
CB D:SER210 4.4 26.5 1.0
C D:SER210 4.4 26.5 1.0
N D:SER210 4.5 25.9 1.0
CB D:MET89 4.5 28.9 1.0
CE1 D:HIS213 4.5 41.4 1.0
O D:SER210 4.6 26.7 1.0
OG D:SER210 4.6 27.6 1.0
CG D:HIS213 4.6 37.0 1.0
CB D:HIS213 4.7 33.7 1.0
O D:SER259 4.9 26.6 1.0
SD D:MET89 4.9 28.9 0.5
CE D:MET89 4.9 28.8 0.5

Chlorine binding site 10 out of 10 in 2jif

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Chlorine binding site 10 out of 10 in the Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase (Acadsb) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1441

b:43.1
occ:1.00
 OH D:TYR373 3.4 30.0 1.0
OH C:TYR373 3.6 30.6 1.0
CE1 D:TYR373 3.6 29.6 1.0
CE1 C:TYR373 3.7 29.7 1.0
NE2 D:GLN342 3.8 34.2 1.0
CZ D:TYR373 4.0 29.0 1.0
NE2 C:GLN342 4.0 33.8 1.0
CZ C:TYR373 4.1 28.8 1.0
CG D:GLN342 4.6 30.0 1.0
CG C:GLN342 4.6 29.0 1.0
CD D:GLN342 4.7 30.6 1.0
CD1 C:TYR373 4.8 29.5 1.0
CD1 D:ILE377 4.8 27.1 0.5
CD1 D:TYR373 4.8 29.2 1.0
CD C:GLN342 4.8 31.0 1.0

Reference:

A.C.W.Pike, V.Hozjan, C.Smee, F.H.Niesen, K.L.Kavanagh, C.Umeano, A.P.Turnbull, F.Von Delft, J.Weigelt, A.Edwards, C.H.Arrowsmith, M.Sundstrom, U.Oppermann. Crystal Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase To Be Published.
Page generated: Sat Dec 12 09:10:51 2020

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