Chlorine in PDB 6lkd: In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor

Enzymatic activity of In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor

All present enzymatic activity of In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor:
1.14.13.9;

Protein crystallography data

The structure of In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor, PDB code: 6lkd was solved by S.Mimasu, H.Yamagishi, M.Kiyohara, K.Kakefuda, T.Okuda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.25 / 3.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 160.970, 63.430, 152.420, 90.00, 113.52, 90.00
R / Rfree (%) 22 / 26.2

Other elements in 6lkd:

The structure of In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor (pdb code 6lkd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor, PDB code: 6lkd:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6lkd

Go back to Chlorine Binding Sites List in 6lkd
Chlorine binding site 1 out of 4 in the In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1002

b:47.3
occ:1.00
 CL1 A:EGO1002 0.0 47.3 1.0
C25 A:EGO1002 1.7 43.4 1.0
C26 A:EGO1002 2.7 40.5 1.0
C24 A:EGO1002 2.7 41.8 1.0
F21 A:EGO1002 2.9 40.6 1.0
CE A:MET367 3.5 57.0 1.0
CE2 A:PHE238 3.6 49.1 1.0
CD2 A:PHE238 3.6 51.2 1.0
CE2 A:PHE312 3.8 26.1 1.0
CG A:MET222 3.8 61.5 1.0
CD2 A:PHE312 3.8 25.4 1.0
CG2 A:ILE224 3.8 43.2 1.0
C27 A:EGO1002 4.0 38.0 1.0
C23 A:EGO1002 4.0 38.8 1.0
CB A:MET222 4.0 57.3 1.0
SD A:MET367 4.4 59.0 1.0
SD A:MET222 4.5 66.7 1.0
C28 A:EGO1002 4.5 37.0 1.0
CZ A:PHE238 4.8 48.8 1.0
CG A:PHE238 4.9 52.3 1.0
CZ A:PHE312 4.9 25.9 1.0

Chlorine binding site 2 out of 4 in 6lkd

Go back to Chlorine Binding Sites List in 6lkd
Chlorine binding site 2 out of 4 in the In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1004

b:40.8
occ:1.00
 N A:GLY316 3.3 31.8 1.0
N10 A:FAD1001 3.3 20.2 1.0
C10 A:FAD1001 3.4 20.2 1.0
CA A:PRO311 3.6 24.3 1.0
C9A A:FAD1001 3.7 20.9 1.0
C1' A:FAD1001 3.7 19.7 1.0
N1 A:FAD1001 3.7 21.1 1.0
CA A:GLY316 3.7 32.7 1.0
C4X A:FAD1001 3.8 20.8 1.0
N A:GLN315 3.8 31.8 1.0
CB A:PRO311 3.9 23.8 1.0
C5X A:FAD1001 4.1 20.6 1.0
N5 A:FAD1001 4.2 21.2 1.0
C A:GLN315 4.3 32.5 1.0
C A:PRO311 4.4 25.5 1.0
C9 A:FAD1001 4.4 21.6 1.0
C A:GLY314 4.4 32.1 1.0
CG1 A:ILE309 4.4 29.6 1.0
N A:GLY314 4.4 31.3 1.0
C2 A:FAD1001 4.4 22.2 1.0
CA A:GLY314 4.4 31.4 1.0
N A:PRO311 4.5 23.3 1.0
O A:VAL310 4.5 26.4 1.0
O A:ILE309 4.5 23.6 1.0
C4 A:FAD1001 4.6 21.2 1.0
CA A:GLN315 4.6 30.5 1.0
N A:PHE312 4.7 26.5 1.0
C A:VAL310 4.7 25.3 1.0
CD1 A:ILE309 4.8 30.3 1.0
N3 A:FAD1001 4.8 21.9 1.0

Chlorine binding site 3 out of 4 in 6lkd

Go back to Chlorine Binding Sites List in 6lkd
Chlorine binding site 3 out of 4 in the In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1002

b:35.0
occ:1.00
 CL1 B:EGO1002 0.0 35.0 1.0
C25 B:EGO1002 1.7 30.5 1.0
C26 B:EGO1002 2.6 30.8 1.0
C24 B:EGO1002 2.7 30.4 1.0
F21 B:EGO1002 2.8 32.1 1.0
CD2 B:PHE312 3.5 25.3 1.0
CE2 B:PHE238 3.7 39.8 1.0
CE2 B:PHE312 3.8 24.4 1.0
CD2 B:PHE238 3.9 38.0 1.0
C27 B:EGO1002 3.9 30.7 1.0
C23 B:EGO1002 3.9 31.7 1.0
CG2 B:ILE224 4.0 23.9 1.0
SD B:MET367 4.2 69.6 1.0
CE B:MET367 4.3 67.8 1.0
SD B:MET222 4.3 41.3 1.0
C28 B:EGO1002 4.4 30.4 1.0
CB B:MET222 4.4 39.8 1.0
CG B:PHE312 4.6 25.7 1.0
CG B:MET222 4.6 42.6 1.0
CZ B:PHE238 4.8 40.9 1.0
CZ B:PHE312 5.0 25.3 1.0

Chlorine binding site 4 out of 4 in 6lkd

Go back to Chlorine Binding Sites List in 6lkd
Chlorine binding site 4 out of 4 in the In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of In Meso Full-Length Rat Kmo in Complex with A Pyrazoyl Benzoic Acid Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1004

b:28.8
occ:1.00
 N B:GLY316 3.2 26.9 1.0
N10 B:FAD1001 3.3 20.8 1.0
C10 B:FAD1001 3.4 21.2 1.0
CA B:PRO311 3.5 28.4 1.0
CA B:GLY316 3.5 25.1 1.0
C1' B:FAD1001 3.7 20.1 1.0
N1 B:FAD1001 3.7 21.4 1.0
C9A B:FAD1001 3.8 21.0 1.0
CB B:PRO311 3.8 28.1 1.0
N B:GLN315 3.8 30.9 1.0
C4X B:FAD1001 3.9 21.2 1.0
CG1 B:ILE309 4.0 28.3 1.0
CD1 B:ILE309 4.1 29.4 1.0
C5X B:FAD1001 4.2 21.0 1.0
C B:GLN315 4.3 29.6 1.0
N5 B:FAD1001 4.3 21.2 1.0
C B:PRO311 4.4 29.2 1.0
N B:PRO311 4.4 27.8 1.0
O B:VAL310 4.4 26.5 1.0
N B:GLY314 4.4 30.9 1.0
C2 B:FAD1001 4.4 21.8 1.0
CA B:GLY314 4.4 30.1 1.0
C B:GLY314 4.5 30.5 1.0
C9 B:FAD1001 4.5 22.5 1.0
CA B:GLN315 4.6 29.5 1.0
C4 B:FAD1001 4.6 21.9 1.0
C B:VAL310 4.7 28.2 1.0
O B:ILE309 4.7 28.7 1.0
N B:PHE312 4.7 29.1 1.0
N3 B:FAD1001 4.8 21.8 1.0
C B:GLY316 4.8 24.0 1.0

Reference:

S.Mimasu, S.Mimasu, H.Yamagishi, M.Kiyohara, K.Kakefuda, T.Okuda. N/A N/A.
Page generated: Sun Jan 24 10:41:04 2021

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