Cobalt in PDB 4b5w: Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate
Enzymatic activity of Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate
All present enzymatic activity of Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate:
4.1.2.20;
Protein crystallography data
The structure of Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate, PDB code: 4b5w
was solved by
M.Coincon,
W.Wang,
S.Y.K.Seah,
J.Sygusch,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
38.49 /
1.79
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
81.348,
119.144,
140.559,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
14.4 /
18.4
|
Other elements in 4b5w:
The structure of Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate also contains other interesting chemical elements:
Cobalt Binding Sites:
The binding sites of Cobalt atom in the Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate
(pdb code 4b5w). This binding sites where shown within
5.0 Angstroms radius around Cobalt atom.
In total 6 binding sites of Cobalt where determined in the
Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate, PDB code: 4b5w:
Jump to Cobalt binding site number:
1;
2;
3;
4;
5;
6;
Cobalt binding site 1 out
of 6 in 4b5w
Go back to
Cobalt Binding Sites List in 4b5w
Cobalt binding site 1 out
of 6 in the Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate
 Mono view
 Stereo pair view
|
|
A full contact list of Cobalt with other atoms in the Co binding
site number 1 of Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Co1257
b:13.7
occ:1.00
|
OE1
|
A:GLU149
|
2.0
|
11.9
|
1.0
|
|
O1
|
A:PYR1259
|
2.0
|
14.5
|
1.0
|
|
OD2
|
A:ASP175
|
2.1
|
14.4
|
1.0
|
|
O
|
A:HOH2088
|
2.1
|
13.2
|
1.0
|
|
O
|
A:HOH2093
|
2.1
|
14.5
|
1.0
|
|
O3
|
A:PYR1259
|
2.1
|
15.4
|
1.0
|
|
C1
|
A:PYR1259
|
2.8
|
16.9
|
1.0
|
|
C2
|
A:PYR1259
|
2.8
|
16.1
|
1.0
|
|
CD
|
A:GLU149
|
3.0
|
12.5
|
1.0
|
|
HB2
|
A:ASP175
|
3.1
|
15.9
|
1.0
|
|
CG
|
A:ASP175
|
3.1
|
15.2
|
1.0
|
|
OE2
|
A:GLU149
|
3.4
|
11.8
|
1.0
|
|
HE22
|
A:GLN147
|
3.4
|
14.6
|
1.0
|
|
CB
|
A:ASP175
|
3.6
|
13.3
|
1.0
|
|
O
|
A:HOH2086
|
3.7
|
14.7
|
1.0
|
|
H
|
A:ASP175
|
3.8
|
19.3
|
1.0
|
|
HA3
|
A:GLY172
|
4.0
|
16.3
|
1.0
|
|
NE2
|
A:GLN147
|
4.0
|
12.2
|
1.0
|
|
O2
|
A:PYR1259
|
4.1
|
17.9
|
1.0
|
|
HE21
|
A:GLN147
|
4.1
|
14.6
|
1.0
|
|
HE2
|
A:HIS45
|
4.1
|
15.7
|
1.0
|
|
O
|
B:VAL118
|
4.1
|
17.1
|
1.0
|
|
HB3
|
A:GLU149
|
4.2
|
17.2
|
1.0
|
|
OD1
|
A:ASP175
|
4.2
|
14.3
|
1.0
|
|
HE3
|
A:MET94
|
4.2
|
26.6
|
1.0
|
|
HB3
|
A:ASP175
|
4.3
|
15.9
|
1.0
|
|
C3
|
A:PYR1259
|
4.3
|
18.5
|
1.0
|
|
OE1
|
A:GLU44
|
4.3
|
13.9
|
1.0
|
|
CG
|
A:GLU149
|
4.3
|
13.5
|
1.0
|
|
HB1
|
A:ALA174
|
4.4
|
20.2
|
1.0
|
|
N
|
A:ASP175
|
4.5
|
16.1
|
1.0
|
|
O
|
A:HOH2036
|
4.5
|
36.0
|
1.0
|
|
HD2
|
A:HIS45
|
4.5
|
16.9
|
1.0
|
|
HG2
|
A:GLU149
|
4.6
|
16.2
|
1.0
|
|
H32
|
A:PYR1259
|
4.6
|
22.1
|
1.0
|
|
CA
|
A:ASP175
|
4.7
|
12.3
|
1.0
|
|
H
|
B:VAL118
|
4.7
|
15.3
|
1.0
|
|
NE2
|
A:HIS45
|
4.8
|
13.1
|
1.0
|
|
CB
|
A:GLU149
|
4.8
|
14.4
|
1.0
|
|
H31
|
A:PYR1259
|
4.8
|
22.1
|
1.0
|
|
O
|
A:HOH2087
|
4.8
|
23.1
|
1.0
|
|
CA
|
A:GLY172
|
4.8
|
13.6
|
1.0
|
|
H33
|
A:PYR1259
|
4.8
|
22.1
|
1.0
|
|
O
|
A:HOH2080
|
4.9
|
23.3
|
1.0
|
|
CD2
|
A:HIS45
|
5.0
|
14.1
|
1.0
|
|
HA2
|
A:GLY172
|
5.0
|
16.3
|
1.0
|
|
Cobalt binding site 2 out
of 6 in 4b5w
Go back to
Cobalt Binding Sites List in 4b5w
Cobalt binding site 2 out
of 6 in the Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate
 Mono view
 Stereo pair view
|
|
A full contact list of Cobalt with other atoms in the Co binding
site number 2 of Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Co1254
b:15.1
occ:1.00
|
OE1
|
B:GLU149
|
1.9
|
15.9
|
1.0
|
|
OD2
|
B:ASP175
|
2.0
|
17.8
|
1.0
|
|
O1
|
B:PYR1255
|
2.0
|
17.1
|
1.0
|
|
O
|
B:HOH2093
|
2.0
|
16.8
|
1.0
|
|
O
|
B:HOH2097
|
2.1
|
18.6
|
1.0
|
|
O3
|
B:PYR1255
|
2.1
|
15.8
|
1.0
|
|
C1
|
B:PYR1255
|
2.7
|
19.1
|
1.0
|
|
C2
|
B:PYR1255
|
2.7
|
22.2
|
1.0
|
|
CD
|
B:GLU149
|
3.0
|
14.5
|
1.0
|
|
HB2
|
B:ASP175
|
3.1
|
20.9
|
1.0
|
|
CG
|
B:ASP175
|
3.1
|
20.3
|
1.0
|
|
OE2
|
B:GLU149
|
3.4
|
17.4
|
1.0
|
|
HE22
|
B:GLN147
|
3.4
|
22.7
|
1.0
|
|
CB
|
B:ASP175
|
3.6
|
17.4
|
1.0
|
|
O
|
B:HOH2094
|
3.8
|
17.1
|
1.0
|
|
H
|
B:ASP175
|
3.8
|
20.5
|
1.0
|
|
HA3
|
B:GLY172
|
4.0
|
18.7
|
1.0
|
|
O2
|
B:PYR1255
|
4.0
|
19.9
|
1.0
|
|
NE2
|
B:GLN147
|
4.0
|
18.9
|
1.0
|
|
HE21
|
B:GLN147
|
4.1
|
22.7
|
1.0
|
|
OD1
|
B:ASP175
|
4.2
|
17.0
|
1.0
|
|
O
|
C:VAL118
|
4.2
|
17.1
|
1.0
|
|
C3
|
B:PYR1255
|
4.2
|
20.8
|
1.0
|
|
HB3
|
B:GLU149
|
4.2
|
22.5
|
1.0
|
|
HE2
|
B:HIS45
|
4.2
|
18.1
|
1.0
|
|
HE3
|
B:MET94
|
4.2
|
26.0
|
1.0
|
|
HB3
|
B:ASP175
|
4.3
|
20.9
|
1.0
|
|
CG
|
B:GLU149
|
4.3
|
17.0
|
1.0
|
|
OE1
|
B:GLU44
|
4.3
|
15.0
|
1.0
|
|
HG2
|
B:GLU149
|
4.5
|
20.4
|
1.0
|
|
N
|
B:ASP175
|
4.5
|
17.1
|
1.0
|
|
HB1
|
B:ALA174
|
4.5
|
25.4
|
1.0
|
|
H33
|
B:PYR1255
|
4.6
|
24.9
|
1.0
|
|
HD2
|
B:HIS45
|
4.6
|
17.9
|
1.0
|
|
CA
|
B:ASP175
|
4.7
|
15.5
|
1.0
|
|
O
|
B:HOH2089
|
4.7
|
26.4
|
1.0
|
|
H31
|
B:PYR1255
|
4.7
|
24.9
|
1.0
|
|
H
|
C:VAL118
|
4.7
|
15.8
|
1.0
|
|
H32
|
B:PYR1255
|
4.7
|
24.9
|
1.0
|
|
CB
|
B:GLU149
|
4.8
|
18.8
|
1.0
|
|
NE2
|
B:HIS45
|
4.8
|
15.1
|
1.0
|
|
CA
|
B:GLY172
|
4.8
|
15.6
|
1.0
|
|
HA2
|
B:GLY172
|
5.0
|
18.7
|
1.0
|
|
Cobalt binding site 3 out
of 6 in 4b5w
Go back to
Cobalt Binding Sites List in 4b5w
Cobalt binding site 3 out
of 6 in the Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate
 Mono view
 Stereo pair view
|
|
A full contact list of Cobalt with other atoms in the Co binding
site number 3 of Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Co1253
b:13.7
occ:1.00
|
OD2
|
C:ASP175
|
2.0
|
15.8
|
1.0
|
|
OE1
|
C:GLU149
|
2.0
|
14.4
|
1.0
|
|
O
|
A:HOH2225
|
2.1
|
15.2
|
1.0
|
|
O3
|
C:PYR1255
|
2.1
|
17.4
|
1.0
|
|
O
|
C:HOH2073
|
2.1
|
12.7
|
1.0
|
|
O1
|
C:PYR1255
|
2.1
|
12.9
|
1.0
|
|
C2
|
C:PYR1255
|
2.8
|
23.7
|
1.0
|
|
C1
|
C:PYR1255
|
2.8
|
16.4
|
1.0
|
|
CD
|
C:GLU149
|
3.0
|
15.7
|
1.0
|
|
HB2
|
C:ASP175
|
3.0
|
14.6
|
1.0
|
|
CG
|
C:ASP175
|
3.1
|
15.2
|
1.0
|
|
OE2
|
C:GLU149
|
3.3
|
14.8
|
1.0
|
|
HE22
|
C:GLN147
|
3.5
|
19.0
|
1.0
|
|
CB
|
C:ASP175
|
3.6
|
12.1
|
1.0
|
|
O
|
A:HOH2224
|
3.7
|
16.4
|
1.0
|
|
H
|
C:ASP175
|
3.8
|
16.4
|
1.0
|
|
HA3
|
C:GLY172
|
4.0
|
14.1
|
1.0
|
|
NE2
|
C:GLN147
|
4.1
|
15.8
|
1.0
|
|
O2
|
C:PYR1255
|
4.1
|
16.8
|
1.0
|
|
O
|
A:VAL118
|
4.2
|
16.4
|
1.0
|
|
HE2
|
C:HIS45
|
4.2
|
15.9
|
1.0
|
|
OD1
|
C:ASP175
|
4.2
|
14.0
|
1.0
|
|
HE3
|
C:MET94
|
4.2
|
27.9
|
1.0
|
|
HB3
|
C:ASP175
|
4.2
|
14.6
|
1.0
|
|
HB3
|
C:GLU149
|
4.2
|
18.7
|
1.0
|
|
HE21
|
C:GLN147
|
4.2
|
19.0
|
1.0
|
|
C3
|
C:PYR1255
|
4.3
|
19.0
|
1.0
|
|
OE1
|
C:GLU44
|
4.3
|
13.8
|
1.0
|
|
CG
|
C:GLU149
|
4.4
|
13.8
|
1.0
|
|
HB1
|
C:ALA174
|
4.4
|
21.6
|
1.0
|
|
N
|
C:ASP175
|
4.5
|
13.6
|
1.0
|
|
H33
|
C:PYR1255
|
4.6
|
22.8
|
1.0
|
|
HD2
|
C:HIS45
|
4.6
|
16.2
|
1.0
|
|
HG2
|
C:GLU149
|
4.6
|
16.6
|
1.0
|
|
H
|
A:VAL118
|
4.6
|
13.8
|
1.0
|
|
CA
|
C:ASP175
|
4.7
|
12.5
|
1.0
|
|
H31
|
C:PYR1255
|
4.7
|
22.8
|
1.0
|
|
HB3
|
C:PRO93
|
4.7
|
18.0
|
1.0
|
|
O
|
C:HOH2069
|
4.8
|
26.5
|
1.0
|
|
NE2
|
C:HIS45
|
4.8
|
13.3
|
1.0
|
|
CB
|
C:GLU149
|
4.8
|
15.6
|
1.0
|
|
CA
|
C:GLY172
|
4.8
|
11.8
|
1.0
|
|
H32
|
C:PYR1255
|
4.9
|
22.8
|
1.0
|
|
O
|
C:HOH2072
|
4.9
|
27.3
|
1.0
|
|
HA2
|
C:GLY172
|
5.0
|
14.1
|
1.0
|
|
Cobalt binding site 4 out
of 6 in 4b5w
Go back to
Cobalt Binding Sites List in 4b5w
Cobalt binding site 4 out
of 6 in the Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate
 Mono view
 Stereo pair view
|
|
A full contact list of Cobalt with other atoms in the Co binding
site number 4 of Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Co1254
b:14.2
occ:1.00
|
O
|
D:HOH2057
|
1.9
|
14.7
|
1.0
|
|
O1
|
D:PYR1256
|
1.9
|
14.1
|
1.0
|
|
OE1
|
D:GLU149
|
2.0
|
14.2
|
1.0
|
|
OD2
|
D:ASP175
|
2.0
|
15.0
|
1.0
|
|
O3
|
D:PYR1256
|
2.1
|
18.0
|
1.0
|
|
O
|
D:HOH2063
|
2.1
|
15.0
|
1.0
|
|
C1
|
D:PYR1256
|
2.7
|
17.8
|
1.0
|
|
C2
|
D:PYR1256
|
2.8
|
21.0
|
1.0
|
|
CD
|
D:GLU149
|
3.0
|
15.4
|
1.0
|
|
HB2
|
D:ASP175
|
3.0
|
17.7
|
1.0
|
|
CG
|
D:ASP175
|
3.1
|
17.0
|
1.0
|
|
OE2
|
D:GLU149
|
3.3
|
13.3
|
1.0
|
|
HE22
|
D:GLN147
|
3.4
|
17.4
|
1.0
|
|
CB
|
D:ASP175
|
3.6
|
14.7
|
1.0
|
|
H
|
D:ASP175
|
3.7
|
17.9
|
1.0
|
|
O
|
D:HOH2059
|
3.8
|
14.9
|
1.0
|
|
O2
|
D:PYR1256
|
4.0
|
18.7
|
1.0
|
|
NE2
|
D:GLN147
|
4.0
|
14.5
|
1.0
|
|
HA3
|
D:GLY172
|
4.1
|
19.2
|
1.0
|
|
HE21
|
D:GLN147
|
4.1
|
17.4
|
1.0
|
|
HE3
|
D:MET94
|
4.1
|
31.2
|
1.0
|
|
HB3
|
D:ASP175
|
4.2
|
17.7
|
1.0
|
|
O
|
E:VAL118
|
4.2
|
19.8
|
1.0
|
|
HB3
|
D:GLU149
|
4.2
|
19.1
|
1.0
|
|
OD1
|
D:ASP175
|
4.2
|
15.2
|
1.0
|
|
HE2
|
D:HIS45
|
4.2
|
18.1
|
1.0
|
|
C3
|
D:PYR1256
|
4.2
|
20.5
|
1.0
|
|
CG
|
D:GLU149
|
4.3
|
14.8
|
1.0
|
|
OE1
|
D:GLU44
|
4.3
|
15.7
|
1.0
|
|
N
|
D:ASP175
|
4.4
|
14.9
|
1.0
|
|
HB1
|
D:ALA174
|
4.4
|
19.4
|
1.0
|
|
HG2
|
D:GLU149
|
4.5
|
17.7
|
1.0
|
|
HD2
|
D:HIS45
|
4.6
|
18.3
|
1.0
|
|
H33
|
D:PYR1256
|
4.6
|
24.6
|
1.0
|
|
CA
|
D:ASP175
|
4.6
|
15.9
|
1.0
|
|
O
|
D:HOH2051
|
4.7
|
21.9
|
1.0
|
|
H31
|
D:PYR1256
|
4.7
|
24.6
|
1.0
|
|
H
|
E:VAL118
|
4.7
|
19.4
|
1.0
|
|
CB
|
D:GLU149
|
4.8
|
16.0
|
1.0
|
|
NE2
|
D:HIS45
|
4.8
|
15.1
|
1.0
|
|
H32
|
D:PYR1256
|
4.8
|
24.6
|
1.0
|
|
CA
|
D:GLY172
|
4.9
|
16.0
|
1.0
|
|
HG2
|
D:MET94
|
5.0
|
22.0
|
1.0
|
|
CD2
|
D:HIS45
|
5.0
|
15.2
|
1.0
|
|
O
|
D:HOH2058
|
5.0
|
23.6
|
1.0
|
|
Cobalt binding site 5 out
of 6 in 4b5w
Go back to
Cobalt Binding Sites List in 4b5w
Cobalt binding site 5 out
of 6 in the Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate
 Mono view
 Stereo pair view
|
|
A full contact list of Cobalt with other atoms in the Co binding
site number 5 of Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Co1256
b:14.7
occ:1.00
|
OE1
|
E:GLU149
|
2.0
|
11.9
|
1.0
|
|
OD2
|
E:ASP175
|
2.0
|
14.2
|
1.0
|
|
O
|
E:HOH2082
|
2.0
|
16.3
|
1.0
|
|
O
|
E:HOH2077
|
2.1
|
14.2
|
1.0
|
|
O3
|
E:PYR1258
|
2.1
|
19.4
|
1.0
|
|
O1
|
E:PYR1258
|
2.1
|
15.0
|
1.0
|
|
C2
|
E:PYR1258
|
2.7
|
23.0
|
1.0
|
|
C1
|
E:PYR1258
|
2.7
|
17.7
|
1.0
|
|
CD
|
E:GLU149
|
3.0
|
14.9
|
1.0
|
|
HB2
|
E:ASP175
|
3.0
|
17.0
|
1.0
|
|
CG
|
E:ASP175
|
3.1
|
15.2
|
1.0
|
|
HE22
|
E:GLN147
|
3.4
|
17.0
|
1.0
|
|
OE2
|
E:GLU149
|
3.4
|
14.9
|
1.0
|
|
CB
|
E:ASP175
|
3.6
|
14.2
|
1.0
|
|
O
|
E:HOH2078
|
3.7
|
19.3
|
1.0
|
|
H
|
E:ASP175
|
3.8
|
17.3
|
1.0
|
|
HA3
|
E:GLY172
|
4.0
|
15.7
|
1.0
|
|
NE2
|
E:GLN147
|
4.0
|
14.2
|
1.0
|
|
O2
|
E:PYR1258
|
4.0
|
16.2
|
1.0
|
|
HE21
|
E:GLN147
|
4.1
|
17.0
|
1.0
|
|
C3
|
E:PYR1258
|
4.1
|
23.1
|
1.0
|
|
HE2
|
E:HIS45
|
4.1
|
19.5
|
1.0
|
|
OD1
|
E:ASP175
|
4.2
|
13.9
|
1.0
|
|
HE3
|
E:MET94
|
4.2
|
26.0
|
1.0
|
|
HB3
|
E:GLU149
|
4.2
|
18.6
|
1.0
|
|
HB3
|
E:ASP175
|
4.2
|
17.0
|
1.0
|
|
O
|
F:VAL118
|
4.2
|
20.3
|
1.0
|
|
OE1
|
E:GLU44
|
4.3
|
16.1
|
1.0
|
|
CG
|
E:GLU149
|
4.3
|
12.5
|
1.0
|
|
H33
|
E:PYR1258
|
4.4
|
27.7
|
1.0
|
|
N
|
E:ASP175
|
4.5
|
14.4
|
1.0
|
|
HG2
|
E:GLU149
|
4.5
|
15.0
|
1.0
|
|
H32
|
E:PYR1258
|
4.6
|
27.7
|
1.0
|
|
HD2
|
E:HIS45
|
4.6
|
19.9
|
1.0
|
|
HB1
|
E:ALA174
|
4.6
|
19.3
|
1.0
|
|
CA
|
E:ASP175
|
4.6
|
13.6
|
1.0
|
|
O
|
E:HOH2076
|
4.6
|
25.7
|
1.0
|
|
H
|
F:VAL118
|
4.7
|
16.8
|
1.0
|
|
NE2
|
E:HIS45
|
4.7
|
16.3
|
1.0
|
|
H31
|
E:PYR1258
|
4.8
|
27.7
|
1.0
|
|
CB
|
E:GLU149
|
4.8
|
15.5
|
1.0
|
|
CA
|
E:GLY172
|
4.8
|
13.1
|
1.0
|
|
O
|
E:HOH2069
|
4.8
|
24.8
|
1.0
|
|
HA2
|
E:GLY172
|
4.9
|
15.7
|
1.0
|
|
HG2
|
E:MET94
|
5.0
|
24.6
|
1.0
|
|
Cobalt binding site 6 out
of 6 in 4b5w
Go back to
Cobalt Binding Sites List in 4b5w
Cobalt binding site 6 out
of 6 in the Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate
 Mono view
 Stereo pair view
|
|
A full contact list of Cobalt with other atoms in the Co binding
site number 6 of Crystal Structures of Divalent Metal Dependent Pyruvate Aldolase R70A Mutant, Hpai, in Complex with Pyruvate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Co1255
b:18.6
occ:1.00
|
O3
|
F:PYR1257
|
1.9
|
22.2
|
1.0
|
|
OD2
|
F:ASP175
|
2.0
|
22.6
|
1.0
|
|
OE1
|
F:GLU149
|
2.0
|
18.0
|
1.0
|
|
O
|
F:HOH2050
|
2.1
|
17.9
|
1.0
|
|
O1
|
F:PYR1257
|
2.1
|
18.9
|
1.0
|
|
O
|
D:HOH2189
|
2.2
|
19.4
|
1.0
|
|
C2
|
F:PYR1257
|
2.7
|
27.5
|
1.0
|
|
C1
|
F:PYR1257
|
2.8
|
22.0
|
1.0
|
|
CD
|
F:GLU149
|
3.0
|
20.4
|
1.0
|
|
HB2
|
F:ASP175
|
3.0
|
21.1
|
1.0
|
|
CG
|
F:ASP175
|
3.0
|
21.6
|
1.0
|
|
HE22
|
F:GLN147
|
3.3
|
25.0
|
1.0
|
|
OE2
|
F:GLU149
|
3.4
|
20.4
|
1.0
|
|
CB
|
F:ASP175
|
3.6
|
17.6
|
1.0
|
|
O
|
D:HOH2188
|
3.7
|
18.2
|
1.0
|
|
H
|
F:ASP175
|
3.8
|
23.0
|
1.0
|
|
HE3
|
F:MET94
|
3.9
|
31.9
|
1.0
|
|
HA3
|
F:GLY172
|
3.9
|
24.9
|
1.0
|
|
NE2
|
F:GLN147
|
3.9
|
20.9
|
1.0
|
|
O2
|
F:PYR1257
|
4.1
|
24.8
|
1.0
|
|
HE21
|
F:GLN147
|
4.1
|
25.0
|
1.0
|
|
OD1
|
F:ASP175
|
4.1
|
18.9
|
1.0
|
|
HB3
|
F:GLU149
|
4.2
|
23.0
|
1.0
|
|
C3
|
F:PYR1257
|
4.2
|
24.6
|
1.0
|
|
HB3
|
F:ASP175
|
4.2
|
21.1
|
1.0
|
|
HE2
|
F:HIS45
|
4.2
|
23.6
|
1.0
|
|
O
|
D:VAL118
|
4.2
|
20.3
|
1.0
|
|
OE1
|
F:GLU44
|
4.3
|
15.3
|
1.0
|
|
CG
|
F:GLU149
|
4.3
|
18.4
|
1.0
|
|
H32
|
F:PYR1257
|
4.5
|
29.5
|
1.0
|
|
N
|
F:ASP175
|
4.5
|
19.1
|
1.0
|
|
HG2
|
F:GLU149
|
4.6
|
22.0
|
1.0
|
|
HB1
|
F:ALA174
|
4.6
|
30.9
|
1.0
|
|
H
|
D:VAL118
|
4.6
|
17.3
|
1.0
|
|
CA
|
F:ASP175
|
4.6
|
19.4
|
1.0
|
|
H31
|
F:PYR1257
|
4.7
|
29.5
|
1.0
|
|
HD2
|
F:HIS45
|
4.7
|
20.7
|
1.0
|
|
H33
|
F:PYR1257
|
4.7
|
29.5
|
1.0
|
|
CB
|
F:GLU149
|
4.7
|
19.2
|
1.0
|
|
CE
|
F:MET94
|
4.7
|
26.6
|
1.0
|
|
HB3
|
F:PRO93
|
4.7
|
22.6
|
1.0
|
|
CA
|
F:GLY172
|
4.8
|
20.7
|
1.0
|
|
NE2
|
F:HIS45
|
4.8
|
19.7
|
1.0
|
|
HE1
|
F:MET94
|
4.9
|
31.9
|
1.0
|
|
O
|
F:HOH2049
|
4.9
|
30.1
|
1.0
|
|
CD
|
F:GLN147
|
4.9
|
24.4
|
1.0
|
|
HA2
|
F:GLY172
|
4.9
|
24.9
|
1.0
|
|
Reference:
M.Coincon,
W.Wang,
J.Sygusch,
S.Y.K.Seah.
Crystal Structure of Reaction Intermediates in Pyruvate Class II Aldolase: Substrate Cleavage, Enolate Stabilization and Substrate Specificity J.Biol.Chem. V. 287 36208 2012.
ISSN: ISSN 0021-9258
PubMed: 22908224
DOI: 10.1074/JBC.M112.400705
Page generated: Tue Jul 30 16:58:02 2024
|
