Calcium in PDB 1hm9: Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine
Enzymatic activity of Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine
All present enzymatic activity of Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine:
2.7.7.23;
Protein crystallography data
The structure of Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine, PDB code: 1hm9
was solved by
G.Sulzenbacher,
L.Gal,
C.Peneff,
F.Fassy,
Y.Bourne,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.14 /
1.75
|
Space group
|
H 3
|
Cell size a, b, c (Å), α, β, γ (°)
|
89.509,
89.509,
278.753,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
18.3 /
21.9
|
Calcium Binding Sites:
The binding sites of Calcium atom in the Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine
(pdb code 1hm9). This binding sites where shown within
5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the
Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine, PDB code: 1hm9:
Jump to Calcium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Calcium binding site 1 out
of 8 in 1hm9
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Calcium Binding Sites List in 1hm9
Calcium binding site 1 out
of 8 in the Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 1 of Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1901
b:20.0
occ:1.00
|
OD1
|
A:ASN227
|
2.2
|
18.5
|
1.0
|
O
|
A:HOH1068
|
2.3
|
14.6
|
1.0
|
O2A
|
A:UD11500
|
2.3
|
19.8
|
1.0
|
O
|
A:HOH1061
|
2.3
|
21.8
|
1.0
|
OD2
|
A:ASP102
|
2.4
|
18.1
|
1.0
|
O2B
|
A:UD11500
|
2.4
|
20.3
|
1.0
|
CG
|
A:ASN227
|
3.2
|
17.8
|
1.0
|
CG
|
A:ASP102
|
3.3
|
18.5
|
1.0
|
PA
|
A:UD11500
|
3.4
|
21.0
|
1.0
|
PB
|
A:UD11500
|
3.5
|
20.2
|
1.0
|
O3A
|
A:UD11500
|
3.5
|
19.6
|
1.0
|
OD1
|
A:ASP102
|
3.6
|
17.1
|
1.0
|
ND2
|
A:ASN227
|
3.6
|
20.1
|
1.0
|
NZ
|
A:LYS22
|
3.8
|
18.3
|
1.0
|
O6'
|
A:UD11500
|
3.9
|
23.7
|
1.0
|
O5'
|
A:UD11500
|
4.3
|
18.8
|
1.0
|
O5B
|
A:UD11500
|
4.3
|
20.1
|
1.0
|
C5B
|
A:UD11500
|
4.3
|
17.5
|
1.0
|
O
|
A:VAL226
|
4.4
|
12.9
|
1.0
|
O1B
|
A:UD11500
|
4.5
|
22.0
|
1.0
|
O
|
A:HOH1172
|
4.5
|
29.0
|
1.0
|
O1'
|
A:UD11500
|
4.6
|
20.5
|
1.0
|
CB
|
A:ASN227
|
4.6
|
17.8
|
1.0
|
O1A
|
A:UD11500
|
4.6
|
23.4
|
1.0
|
CB
|
A:ASP102
|
4.7
|
17.3
|
1.0
|
C
|
A:VAL226
|
4.7
|
13.2
|
1.0
|
C1'
|
A:UD11500
|
4.8
|
20.0
|
1.0
|
NH2
|
A:ARG15
|
4.8
|
12.3
|
0.3
|
N
|
A:VAL226
|
4.9
|
17.2
|
1.0
|
C5'
|
A:UD11500
|
4.9
|
21.6
|
1.0
|
CA
|
A:ASN227
|
4.9
|
14.0
|
1.0
|
C
|
A:GLY225
|
4.9
|
16.0
|
1.0
|
N
|
A:ASN227
|
4.9
|
12.8
|
1.0
|
C3B
|
A:UD11500
|
4.9
|
20.9
|
1.0
|
CA
|
A:GLY225
|
5.0
|
17.2
|
1.0
|
|
Calcium binding site 2 out
of 8 in 1hm9
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Calcium Binding Sites List in 1hm9
Calcium binding site 2 out
of 8 in the Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 2 of Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1902
b:27.9
occ:1.00
|
O
|
A:HOH1251
|
1.8
|
27.7
|
1.0
|
O
|
A:HOH1250
|
2.3
|
27.7
|
1.0
|
O1A
|
A:UD11500
|
2.3
|
23.4
|
1.0
|
O
|
A:HOH1342
|
2.4
|
53.6
|
1.0
|
NH1
|
A:ARG15
|
2.7
|
30.0
|
0.7
|
CZ
|
A:ARG15
|
3.7
|
22.7
|
0.7
|
PA
|
A:UD11500
|
3.8
|
21.0
|
1.0
|
NH2
|
A:ARG15
|
3.9
|
20.0
|
0.7
|
O
|
A:HOH1311
|
4.1
|
41.8
|
1.0
|
NH2
|
A:ARG15
|
4.3
|
12.3
|
0.3
|
O
|
A:HOH1120
|
4.4
|
23.1
|
1.0
|
OE1
|
A:GLU195
|
4.5
|
32.2
|
1.0
|
O
|
A:HOH1249
|
4.5
|
10.7
|
1.0
|
O5B
|
A:UD11500
|
4.5
|
20.1
|
1.0
|
O3A
|
A:UD11500
|
4.6
|
19.6
|
1.0
|
OE2
|
A:GLU195
|
4.6
|
34.9
|
1.0
|
O1B
|
A:UD11500
|
4.6
|
22.0
|
1.0
|
O2A
|
A:UD11500
|
4.6
|
19.8
|
1.0
|
NE2
|
A:GLN193
|
4.6
|
43.2
|
1.0
|
C5
|
A:UD11500
|
4.7
|
25.5
|
1.0
|
C6
|
A:UD11500
|
4.8
|
24.5
|
1.0
|
NE
|
A:ARG15
|
4.9
|
20.7
|
0.7
|
CD
|
A:GLU195
|
5.0
|
36.4
|
1.0
|
|
Calcium binding site 3 out
of 8 in 1hm9
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Calcium Binding Sites List in 1hm9
Calcium binding site 3 out
of 8 in the Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 3 of Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1903
b:37.5
occ:1.00
|
OD1
|
A:ASP416
|
2.5
|
16.8
|
1.0
|
OD2
|
A:ASP416
|
2.5
|
26.8
|
1.0
|
O
|
A:HOH1223
|
2.8
|
38.0
|
1.0
|
CG
|
A:ASP416
|
2.8
|
23.1
|
1.0
|
OD2
|
A:ASP398
|
3.0
|
30.8
|
1.0
|
CG
|
A:ASP398
|
3.7
|
23.5
|
1.0
|
O
|
A:HOH1268
|
4.0
|
29.1
|
1.0
|
N
|
A:ASP398
|
4.0
|
16.5
|
1.0
|
O
|
A:HOH1087
|
4.3
|
28.0
|
1.0
|
OD1
|
A:ASP398
|
4.3
|
20.1
|
1.0
|
CB
|
A:ASP416
|
4.4
|
16.2
|
1.0
|
CB
|
A:ASP398
|
4.4
|
17.9
|
1.0
|
CA
|
A:GLY397
|
4.6
|
16.4
|
1.0
|
O
|
A:HOH1050
|
4.6
|
21.8
|
1.0
|
C
|
A:GLY397
|
4.8
|
17.8
|
1.0
|
CA
|
A:ASP398
|
4.9
|
15.6
|
1.0
|
|
Calcium binding site 4 out
of 8 in 1hm9
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Calcium Binding Sites List in 1hm9
Calcium binding site 4 out
of 8 in the Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 4 of Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Ca1904
b:25.6
occ:0.33
|
O
|
A:HOH1254
|
2.1
|
14.4
|
1.0
|
OD1
|
A:ASN405
|
2.3
|
27.6
|
1.0
|
CG
|
A:ASN405
|
3.4
|
25.3
|
1.0
|
ND2
|
A:ASN405
|
3.9
|
24.6
|
1.0
|
O
|
A:GLY380
|
4.2
|
13.1
|
1.0
|
O
|
A:HOH1024
|
4.5
|
17.7
|
1.0
|
CB
|
A:ASN405
|
4.6
|
17.8
|
1.0
|
CA
|
A:ASN405
|
4.8
|
14.5
|
1.0
|
CA
|
A:GLY380
|
4.9
|
13.9
|
1.0
|
C
|
A:GLY380
|
5.0
|
12.0
|
1.0
|
|
Calcium binding site 5 out
of 8 in 1hm9
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Calcium Binding Sites List in 1hm9
Calcium binding site 5 out
of 8 in the Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 5 of Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2901
b:20.7
occ:1.00
|
OD1
|
B:ASN227
|
2.2
|
17.8
|
1.0
|
O2A
|
B:UD12500
|
2.3
|
18.2
|
1.0
|
O
|
B:HOH2250
|
2.3
|
17.0
|
1.0
|
O
|
B:HOH2251
|
2.4
|
18.1
|
1.0
|
O2B
|
B:UD12500
|
2.4
|
18.9
|
1.0
|
OD2
|
B:ASP102
|
2.4
|
17.2
|
1.0
|
CG
|
B:ASN227
|
3.2
|
17.7
|
1.0
|
CG
|
B:ASP102
|
3.3
|
20.1
|
1.0
|
PA
|
B:UD12500
|
3.4
|
21.5
|
1.0
|
PB
|
B:UD12500
|
3.4
|
22.1
|
1.0
|
O3A
|
B:UD12500
|
3.5
|
19.8
|
1.0
|
ND2
|
B:ASN227
|
3.6
|
19.1
|
1.0
|
OD1
|
B:ASP102
|
3.6
|
18.5
|
1.0
|
O6'
|
B:UD12500
|
3.8
|
22.6
|
1.0
|
NZ
|
B:LYS22
|
3.9
|
18.3
|
1.0
|
O5'
|
B:UD12500
|
4.2
|
18.2
|
1.0
|
C5B
|
B:UD12500
|
4.2
|
18.6
|
1.0
|
O5B
|
B:UD12500
|
4.3
|
20.6
|
1.0
|
O
|
B:HOH2129
|
4.3
|
34.4
|
1.0
|
O
|
B:VAL226
|
4.4
|
12.5
|
1.0
|
O1B
|
B:UD12500
|
4.4
|
23.9
|
1.0
|
O1'
|
B:UD12500
|
4.5
|
22.8
|
1.0
|
CB
|
B:ASN227
|
4.6
|
15.5
|
1.0
|
O1A
|
B:UD12500
|
4.6
|
19.8
|
1.0
|
CB
|
B:ASP102
|
4.7
|
18.8
|
1.0
|
C
|
B:VAL226
|
4.7
|
13.6
|
1.0
|
C1'
|
B:UD12500
|
4.7
|
21.6
|
1.0
|
C5'
|
B:UD12500
|
4.8
|
21.0
|
1.0
|
N
|
B:VAL226
|
4.8
|
16.8
|
1.0
|
CA
|
B:ASN227
|
4.9
|
13.9
|
1.0
|
N
|
B:ASN227
|
4.9
|
12.4
|
1.0
|
C6'
|
B:UD12500
|
4.9
|
21.7
|
1.0
|
C
|
B:GLY225
|
4.9
|
15.8
|
1.0
|
NH2
|
B:ARG15
|
4.9
|
12.5
|
0.3
|
CA
|
B:GLY225
|
5.0
|
17.2
|
1.0
|
|
Calcium binding site 6 out
of 8 in 1hm9
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Calcium Binding Sites List in 1hm9
Calcium binding site 6 out
of 8 in the Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 6 of Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2902
b:26.2
occ:1.00
|
O
|
B:HOH2252
|
1.8
|
28.9
|
1.0
|
O
|
B:HOH2208
|
2.3
|
29.7
|
1.0
|
O1A
|
B:UD12500
|
2.4
|
19.8
|
1.0
|
O
|
B:HOH2216
|
2.4
|
40.5
|
1.0
|
NH1
|
B:ARG15
|
2.7
|
26.6
|
0.7
|
O
|
B:HOH2299
|
3.4
|
44.6
|
1.0
|
CZ
|
B:ARG15
|
3.7
|
21.2
|
0.7
|
PA
|
B:UD12500
|
3.8
|
21.5
|
1.0
|
NH2
|
B:ARG15
|
3.9
|
17.9
|
0.7
|
NH2
|
B:ARG15
|
4.2
|
12.5
|
0.3
|
O
|
B:HOH2087
|
4.3
|
20.8
|
1.0
|
O3A
|
B:UD12500
|
4.5
|
19.8
|
1.0
|
OE1
|
B:GLU195
|
4.5
|
32.2
|
1.0
|
O
|
B:HOH2249
|
4.5
|
11.4
|
1.0
|
OE2
|
B:GLU195
|
4.6
|
34.7
|
1.0
|
O5B
|
B:UD12500
|
4.6
|
20.6
|
1.0
|
O1B
|
B:UD12500
|
4.6
|
23.9
|
1.0
|
NE2
|
B:GLN193
|
4.7
|
43.3
|
1.0
|
O2A
|
B:UD12500
|
4.7
|
18.2
|
1.0
|
C5
|
B:UD12500
|
4.7
|
20.7
|
1.0
|
C6
|
B:UD12500
|
4.8
|
20.4
|
1.0
|
NE
|
B:ARG15
|
4.9
|
18.9
|
0.7
|
|
Calcium binding site 7 out
of 8 in 1hm9
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Calcium Binding Sites List in 1hm9
Calcium binding site 7 out
of 8 in the Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 7 of Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2903
b:38.2
occ:1.00
|
OD1
|
B:ASP416
|
2.4
|
17.0
|
1.0
|
OD2
|
B:ASP416
|
2.6
|
27.1
|
1.0
|
O
|
B:HOH2326
|
2.7
|
47.2
|
1.0
|
CG
|
B:ASP416
|
2.8
|
22.4
|
1.0
|
OD2
|
B:ASP398
|
3.0
|
30.3
|
1.0
|
CG
|
B:ASP398
|
3.7
|
23.6
|
1.0
|
N
|
B:ASP398
|
4.0
|
15.9
|
1.0
|
O
|
B:HOH2126
|
4.1
|
28.2
|
1.0
|
O
|
B:HOH2218
|
4.2
|
38.1
|
1.0
|
OD1
|
B:ASP398
|
4.3
|
19.2
|
1.0
|
CB
|
B:ASP398
|
4.4
|
17.3
|
1.0
|
CB
|
B:ASP416
|
4.4
|
15.3
|
1.0
|
CA
|
B:GLY397
|
4.5
|
16.9
|
1.0
|
O
|
B:HOH2257
|
4.6
|
21.7
|
1.0
|
C
|
B:GLY397
|
4.7
|
18.2
|
1.0
|
CA
|
B:ASP398
|
4.8
|
15.7
|
1.0
|
|
Calcium binding site 8 out
of 8 in 1hm9
Go back to
Calcium Binding Sites List in 1hm9
Calcium binding site 8 out
of 8 in the Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine
Mono view
Stereo pair view
|
A full contact list of Calcium with other atoms in the Ca binding
site number 8 of Crystal Structure of S.Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase, Glmu, Bound to Acetyl Coenzyme A and Udp-N- Acetylglucosamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Ca2904
b:37.2
occ:0.33
|
O
|
B:HOH2254
|
2.2
|
14.8
|
1.0
|
OD1
|
B:ASN405
|
2.3
|
29.4
|
1.0
|
CG
|
B:ASN405
|
3.4
|
25.3
|
1.0
|
ND2
|
B:ASN405
|
3.9
|
26.2
|
1.0
|
O
|
B:GLY380
|
4.1
|
13.0
|
1.0
|
O
|
B:HOH2255
|
4.4
|
17.1
|
1.0
|
CB
|
B:ASN405
|
4.7
|
19.2
|
1.0
|
CA
|
B:ASN405
|
4.8
|
15.5
|
1.0
|
CA
|
B:GLY380
|
4.9
|
14.2
|
1.0
|
C
|
B:GLY380
|
5.0
|
12.5
|
1.0
|
|
Reference:
G.Sulzenbacher,
L.Gal,
C.Peneff,
F.Fassy,
Y.Bourne.
Crystal Structure of Streptococcus Pneumoniae N-Acetylglucosamine-1-Phosphate Uridyltransferase Bound to Acetyl-Coenzyme A Reveals A Novel Active Site Architecture. J.Biol.Chem. V. 276 11844 2001.
ISSN: ISSN 0021-9258
PubMed: 11118459
DOI: 10.1074/JBC.M011225200
Page generated: Thu Jul 11 10:05:28 2024
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