Chlorine in PDB 5e2h: Crystal Structure of D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis
Enzymatic activity of Crystal Structure of D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis
All present enzymatic activity of Crystal Structure of D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis:
3.5.2.6;
Protein crystallography data
The structure of Crystal Structure of D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis, PDB code: 5e2h
was solved by
Y.Kim,
C.Hatzos-Skintges,
M.Endres,
G.Babnigg,
A.Joachimiak,
Midwestcenter For Structural Genomics (Mcsg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
32.55 /
1.80
|
Space group
|
C 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
127.779,
73.682,
113.413,
90.00,
90.19,
90.00
|
R / Rfree (%)
|
16.4 /
19.7
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis
(pdb code 5e2h). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the
Crystal Structure of D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis, PDB code: 5e2h:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 5e2h
Go back to
Chlorine Binding Sites List in 5e2h
Chlorine binding site 1 out
of 6 in the Crystal Structure of D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis
 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 D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl401
b:45.4
occ:1.00
|
O
|
A:HOH590
|
3.1
|
46.3
|
1.0
|
N
|
A:VAL185
|
3.2
|
27.3
|
1.0
|
CG2
|
A:VAL185
|
3.8
|
25.1
|
1.0
|
CB
|
A:VAL185
|
3.8
|
27.6
|
1.0
|
NZ
|
A:LYS219
|
3.9
|
30.9
|
1.0
|
CE
|
A:LYS219
|
3.9
|
31.5
|
1.0
|
CA
|
A:ASP184
|
4.0
|
32.0
|
1.0
|
C
|
A:ASP184
|
4.1
|
29.9
|
1.0
|
CA
|
A:VAL185
|
4.1
|
28.7
|
1.0
|
O
|
A:VAL183
|
4.1
|
34.6
|
1.0
|
CE2
|
A:TYR193
|
4.3
|
27.8
|
1.0
|
O
|
A:VAL185
|
4.6
|
33.5
|
1.0
|
CE
|
A:MSE190
|
4.8
|
41.4
|
1.0
|
C
|
A:VAL185
|
4.9
|
33.3
|
1.0
|
OD1
|
A:ASP184
|
4.9
|
41.0
|
1.0
|
CB
|
A:ASP184
|
4.9
|
37.5
|
1.0
|
C
|
A:VAL183
|
4.9
|
32.4
|
1.0
|
N
|
A:ASP184
|
4.9
|
29.3
|
1.0
|
CD2
|
A:TYR193
|
5.0
|
28.5
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 5e2h
Go back to
Chlorine Binding Sites List in 5e2h
Chlorine binding site 2 out
of 6 in the Crystal Structure of D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis
 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 D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl402
b:37.0
occ:1.00
|
O
|
A:HOH550
|
3.0
|
31.9
|
1.0
|
N
|
A:PHE115
|
3.3
|
33.4
|
1.0
|
CA
|
A:GLN114
|
3.5
|
35.4
|
1.0
|
CB
|
A:GLN114
|
3.7
|
39.8
|
1.0
|
CB
|
A:ASN146
|
3.8
|
24.8
|
1.0
|
CD2
|
A:PHE115
|
3.9
|
35.5
|
1.0
|
C
|
A:GLN114
|
4.0
|
35.8
|
1.0
|
CG
|
A:GLN114
|
4.1
|
43.2
|
1.0
|
CD
|
A:PRO147
|
4.3
|
30.7
|
1.0
|
CB
|
A:PHE115
|
4.3
|
35.9
|
1.0
|
ND2
|
A:ASN146
|
4.4
|
31.5
|
1.0
|
CA
|
A:PHE115
|
4.4
|
35.5
|
1.0
|
CE2
|
A:TYR216
|
4.4
|
29.8
|
1.0
|
CG
|
A:ASN146
|
4.5
|
29.1
|
1.0
|
CG
|
A:PHE115
|
4.5
|
33.2
|
1.0
|
O
|
A:LEU113
|
4.6
|
30.9
|
1.0
|
CG
|
A:PRO147
|
4.7
|
35.5
|
1.0
|
O
|
A:VAL210
|
4.7
|
30.3
|
1.0
|
CE2
|
A:PHE115
|
4.7
|
37.3
|
1.0
|
N
|
A:GLN114
|
4.8
|
33.8
|
1.0
|
OH
|
A:TYR216
|
4.8
|
29.8
|
1.0
|
N
|
A:PRO147
|
4.9
|
30.6
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 5e2h
Go back to
Chlorine Binding Sites List in 5e2h
Chlorine binding site 3 out
of 6 in the Crystal Structure of D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis
 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 D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl401
b:39.2
occ:1.00
|
N
|
B:VAL185
|
3.2
|
29.4
|
1.0
|
NZ
|
B:LYS219
|
3.7
|
29.4
|
1.0
|
CG2
|
B:VAL185
|
3.9
|
26.8
|
1.0
|
CB
|
B:VAL185
|
3.9
|
28.0
|
1.0
|
CA
|
B:ASP184
|
4.0
|
35.2
|
1.0
|
C
|
B:ASP184
|
4.1
|
31.9
|
1.0
|
O
|
B:VAL183
|
4.1
|
34.5
|
1.0
|
CA
|
B:VAL185
|
4.1
|
28.4
|
1.0
|
CE
|
B:LYS219
|
4.2
|
32.0
|
1.0
|
CD
|
B:LYS219
|
4.2
|
34.5
|
1.0
|
CE2
|
B:TYR193
|
4.3
|
28.2
|
1.0
|
OD1
|
B:ASP184
|
4.6
|
47.8
|
1.0
|
O
|
B:VAL185
|
4.7
|
33.6
|
1.0
|
CE
|
B:MSE190
|
4.8
|
39.3
|
1.0
|
CB
|
B:ASP184
|
4.9
|
41.2
|
1.0
|
N
|
B:ASP184
|
4.9
|
31.5
|
1.0
|
C
|
B:VAL183
|
4.9
|
33.5
|
1.0
|
C
|
B:VAL185
|
4.9
|
31.5
|
1.0
|
OH
|
B:TYR193
|
5.0
|
24.9
|
1.0
|
|
Chlorine binding site 4 out
of 6 in 5e2h
Go back to
Chlorine Binding Sites List in 5e2h
Chlorine binding site 4 out
of 6 in the Crystal Structure of D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis
 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 D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl402
b:36.8
occ:1.00
|
O
|
B:HOH529
|
3.1
|
30.6
|
1.0
|
N
|
B:PHE115
|
3.3
|
34.5
|
1.0
|
CA
|
B:GLN114
|
3.5
|
35.7
|
1.0
|
CB
|
B:GLN114
|
3.7
|
40.1
|
1.0
|
CB
|
B:ASN146
|
3.8
|
29.1
|
1.0
|
C
|
B:GLN114
|
3.9
|
35.4
|
1.0
|
CG
|
B:GLN114
|
4.0
|
46.2
|
1.0
|
CD2
|
B:PHE115
|
4.0
|
35.2
|
1.0
|
CB
|
B:PHE115
|
4.4
|
36.9
|
1.0
|
ND2
|
B:ASN146
|
4.4
|
33.6
|
1.0
|
CD
|
B:PRO147
|
4.4
|
29.3
|
1.0
|
CA
|
B:PHE115
|
4.4
|
36.1
|
1.0
|
CE2
|
B:TYR216
|
4.4
|
30.2
|
1.0
|
CG
|
B:ASN146
|
4.5
|
32.9
|
1.0
|
O
|
B:LEU113
|
4.5
|
30.1
|
1.0
|
CG
|
B:PHE115
|
4.6
|
34.9
|
1.0
|
CG
|
B:PRO147
|
4.8
|
31.1
|
1.0
|
N
|
B:GLN114
|
4.8
|
35.4
|
1.0
|
O
|
B:VAL210
|
4.8
|
31.1
|
1.0
|
OH
|
B:TYR216
|
4.9
|
28.2
|
1.0
|
CD
|
B:GLN114
|
4.9
|
54.8
|
1.0
|
OE1
|
B:GLN114
|
4.9
|
58.9
|
1.0
|
CE2
|
B:PHE115
|
4.9
|
34.6
|
1.0
|
N
|
B:PRO147
|
4.9
|
30.5
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 5e2h
Go back to
Chlorine Binding Sites List in 5e2h
Chlorine binding site 5 out
of 6 in the Crystal Structure of D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis
 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 D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl401
b:43.3
occ:1.00
|
N
|
C:VAL185
|
3.2
|
29.3
|
1.0
|
CB
|
C:VAL185
|
3.8
|
26.9
|
1.0
|
CG2
|
C:VAL185
|
3.8
|
26.5
|
1.0
|
NZ
|
C:LYS219
|
3.9
|
30.0
|
1.0
|
CA
|
C:ASP184
|
4.0
|
33.9
|
1.0
|
C
|
C:ASP184
|
4.0
|
31.8
|
1.0
|
CA
|
C:VAL185
|
4.0
|
28.4
|
1.0
|
O
|
C:VAL183
|
4.1
|
34.4
|
1.0
|
CE
|
C:LYS219
|
4.1
|
33.2
|
1.0
|
CE2
|
C:TYR193
|
4.3
|
27.1
|
1.0
|
CD
|
C:LYS219
|
4.4
|
31.7
|
1.0
|
O
|
C:VAL185
|
4.6
|
36.2
|
1.0
|
C
|
C:VAL185
|
4.8
|
34.0
|
1.0
|
OD1
|
C:ASP184
|
4.9
|
46.0
|
1.0
|
CB
|
C:ASP184
|
4.9
|
40.3
|
1.0
|
N
|
C:ASP184
|
4.9
|
31.3
|
1.0
|
C
|
C:VAL183
|
4.9
|
33.3
|
1.0
|
CE
|
C:MSE190
|
4.9
|
41.6
|
1.0
|
CD2
|
C:TYR193
|
5.0
|
26.3
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 5e2h
Go back to
Chlorine Binding Sites List in 5e2h
Chlorine binding site 6 out
of 6 in the Crystal Structure of D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis
 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 D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl402
b:38.5
occ:1.00
|
O
|
C:HOH640
|
3.0
|
46.4
|
1.0
|
O
|
C:HOH549
|
3.1
|
31.7
|
1.0
|
N
|
C:PHE115
|
3.2
|
34.1
|
1.0
|
CA
|
C:GLN114
|
3.5
|
36.5
|
1.0
|
CB
|
C:GLN114
|
3.6
|
40.4
|
1.0
|
C
|
C:GLN114
|
3.8
|
38.0
|
1.0
|
CB
|
C:ASN146
|
3.9
|
29.3
|
1.0
|
CD2
|
C:PHE115
|
3.9
|
35.7
|
1.0
|
CG
|
C:GLN114
|
4.1
|
45.4
|
1.0
|
CB
|
C:PHE115
|
4.2
|
36.2
|
1.0
|
CA
|
C:PHE115
|
4.3
|
36.9
|
1.0
|
ND2
|
C:ASN146
|
4.4
|
34.7
|
1.0
|
CG
|
C:PHE115
|
4.4
|
35.6
|
1.0
|
CD
|
C:PRO147
|
4.4
|
35.0
|
1.0
|
CG
|
C:ASN146
|
4.5
|
32.3
|
1.0
|
O
|
C:LEU113
|
4.5
|
29.2
|
1.0
|
CE2
|
C:TYR216
|
4.6
|
30.4
|
1.0
|
CG
|
C:PRO147
|
4.7
|
38.7
|
1.0
|
N
|
C:GLN114
|
4.7
|
33.7
|
1.0
|
CE2
|
C:PHE115
|
4.8
|
37.8
|
1.0
|
O
|
C:VAL210
|
4.8
|
33.9
|
1.0
|
NE2
|
C:GLN114
|
4.8
|
54.6
|
1.0
|
OH
|
C:TYR216
|
4.9
|
25.6
|
1.0
|
N
|
C:PRO147
|
4.9
|
34.4
|
1.0
|
O
|
C:PHE115
|
4.9
|
38.7
|
1.0
|
CD
|
C:GLN114
|
5.0
|
52.5
|
1.0
|
|
Reference:
Y.Kim,
C.Hatzos-Skintges,
M.Endres,
G.Babnigg,
A.Joachimiak.
Crystal Structure of D-Alanine Carboxypeptidase Ampc From Mycobacterium Smegmatis To Be Published.
Page generated: Fri Jul 26 07:04:41 2024
|