Chlorine in PDB 3b7f: Crystal Structure of A Putative Glycosyl Hydrolase with Bnr Repeats (REUT_B4987) From Ralstonia Eutropha JMP134 at 2.20 A Resolution
Protein crystallography data
The structure of Crystal Structure of A Putative Glycosyl Hydrolase with Bnr Repeats (REUT_B4987) From Ralstonia Eutropha JMP134 at 2.20 A Resolution, PDB code: 3b7f
was solved by
Joint Center For Structural Genomics (Jcsg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
28.58 /
2.20
|
Space group
|
I 41 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
114.310,
114.310,
161.430,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
16.8 /
21.6
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of A Putative Glycosyl Hydrolase with Bnr Repeats (REUT_B4987) From Ralstonia Eutropha JMP134 at 2.20 A Resolution
(pdb code 3b7f). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the
Crystal Structure of A Putative Glycosyl Hydrolase with Bnr Repeats (REUT_B4987) From Ralstonia Eutropha JMP134 at 2.20 A Resolution, PDB code: 3b7f:
Jump to Chlorine binding site number:
1;
2;
3;
4;
Chlorine binding site 1 out
of 4 in 3b7f
Go back to
Chlorine Binding Sites List in 3b7f
Chlorine binding site 1 out
of 4 in the Crystal Structure of A Putative Glycosyl Hydrolase with Bnr Repeats (REUT_B4987) From Ralstonia Eutropha JMP134 at 2.20 A Resolution
 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 A Putative Glycosyl Hydrolase with Bnr Repeats (REUT_B4987) From Ralstonia Eutropha JMP134 at 2.20 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl394
b:33.1
occ:1.00
|
ND2
|
A:ASN220
|
3.2
|
32.3
|
1.0
|
NH2
|
A:ARG266
|
3.3
|
32.4
|
1.0
|
NH1
|
A:ARG266
|
3.5
|
25.8
|
1.0
|
CB
|
A:CYS252
|
3.6
|
27.4
|
1.0
|
O
|
A:HOH596
|
3.6
|
36.3
|
1.0
|
CA
|
A:CYS252
|
3.6
|
26.6
|
1.0
|
O
|
A:HOH638
|
3.8
|
33.1
|
1.0
|
CZ
|
A:ARG266
|
3.8
|
23.1
|
1.0
|
SG
|
A:CYS252
|
4.0
|
31.1
|
1.0
|
C
|
A:CYS252
|
4.1
|
26.6
|
1.0
|
O
|
A:CYS252
|
4.1
|
26.8
|
1.0
|
CG
|
A:ASN220
|
4.2
|
41.0
|
1.0
|
CB
|
A:ASN220
|
4.4
|
31.9
|
1.0
|
O
|
A:HOH447
|
4.6
|
33.0
|
1.0
|
O
|
A:HOH417
|
4.6
|
34.6
|
1.0
|
CD1
|
A:ILE278
|
4.7
|
22.1
|
1.0
|
O
|
A:HIS251
|
4.8
|
23.4
|
1.0
|
N
|
A:CYS252
|
4.9
|
26.7
|
1.0
|
N
|
A:GLY253
|
5.0
|
25.0
|
1.0
|
|
Chlorine binding site 2 out
of 4 in 3b7f
Go back to
Chlorine Binding Sites List in 3b7f
Chlorine binding site 2 out
of 4 in the Crystal Structure of A Putative Glycosyl Hydrolase with Bnr Repeats (REUT_B4987) From Ralstonia Eutropha JMP134 at 2.20 A Resolution
 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 A Putative Glycosyl Hydrolase with Bnr Repeats (REUT_B4987) From Ralstonia Eutropha JMP134 at 2.20 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl395
b:42.0
occ:1.00
|
O
|
A:HOH547
|
3.0
|
42.2
|
1.0
|
ND2
|
A:ASN156
|
3.3
|
30.0
|
1.0
|
N
|
A:ASN102
|
3.3
|
36.6
|
1.0
|
NH2
|
A:ARG111
|
3.5
|
49.7
|
0.5
|
CB
|
A:PRO151
|
3.6
|
36.2
|
1.0
|
CB
|
A:ASN156
|
3.7
|
35.6
|
1.0
|
CG
|
A:PRO151
|
3.7
|
35.3
|
1.0
|
CA
|
A:PHE101
|
3.8
|
34.5
|
1.0
|
CD1
|
A:PHE101
|
3.8
|
34.0
|
1.0
|
ND2
|
A:ASN102
|
4.0
|
23.8
|
1.0
|
CG
|
A:ASN156
|
4.0
|
34.0
|
1.0
|
CG
|
A:ASN102
|
4.0
|
35.2
|
1.0
|
CB
|
A:PHE101
|
4.0
|
33.8
|
1.0
|
C
|
A:PHE101
|
4.1
|
35.4
|
1.0
|
CZ
|
A:ARG111
|
4.1
|
47.5
|
0.5
|
CB
|
A:ASN102
|
4.1
|
37.6
|
1.0
|
CA
|
A:ASN102
|
4.3
|
39.8
|
1.0
|
NH1
|
A:ARG111
|
4.3
|
45.5
|
0.5
|
CG
|
A:PHE101
|
4.4
|
34.4
|
1.0
|
OD1
|
A:ASN102
|
4.5
|
33.2
|
1.0
|
OD1
|
A:ASP157
|
4.6
|
38.6
|
1.0
|
CE1
|
A:PHE101
|
4.9
|
35.8
|
1.0
|
OD2
|
A:ASP157
|
4.9
|
41.9
|
1.0
|
|
Chlorine binding site 3 out
of 4 in 3b7f
Go back to
Chlorine Binding Sites List in 3b7f
Chlorine binding site 3 out
of 4 in the Crystal Structure of A Putative Glycosyl Hydrolase with Bnr Repeats (REUT_B4987) From Ralstonia Eutropha JMP134 at 2.20 A Resolution
 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 A Putative Glycosyl Hydrolase with Bnr Repeats (REUT_B4987) From Ralstonia Eutropha JMP134 at 2.20 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl396
b:46.3
occ:1.00
|
N
|
A:VAL113
|
3.1
|
36.5
|
1.0
|
N
|
A:PHE101
|
3.2
|
34.9
|
1.0
|
O
|
A:HOH599
|
3.3
|
46.5
|
1.0
|
O
|
A:HOH501
|
3.3
|
43.0
|
1.0
|
CA
|
A:ALA100
|
3.5
|
32.0
|
1.0
|
CG2
|
A:VAL113
|
3.7
|
27.0
|
1.0
|
CA
|
A:VAL112
|
3.7
|
40.2
|
1.0
|
CB
|
A:ALA100
|
3.8
|
29.8
|
1.0
|
CB
|
A:VAL113
|
3.8
|
33.0
|
1.0
|
C
|
A:ALA100
|
3.8
|
32.6
|
1.0
|
C
|
A:VAL112
|
3.9
|
38.1
|
1.0
|
CD2
|
A:PHE101
|
4.0
|
33.6
|
1.0
|
CA
|
A:VAL113
|
4.1
|
34.6
|
1.0
|
CA
|
A:PHE101
|
4.3
|
34.5
|
1.0
|
O
|
A:ARG111
|
4.3
|
45.8
|
1.0
|
CB
|
A:PHE101
|
4.3
|
33.8
|
1.0
|
CG1
|
A:VAL112
|
4.4
|
39.2
|
1.0
|
O
|
A:PHE101
|
4.4
|
35.4
|
1.0
|
CB
|
A:VAL112
|
4.5
|
41.0
|
1.0
|
CG
|
A:PHE101
|
4.6
|
34.4
|
1.0
|
CG2
|
A:VAL112
|
4.8
|
38.0
|
1.0
|
N
|
A:ALA100
|
4.8
|
33.2
|
1.0
|
N
|
A:VAL112
|
4.8
|
43.4
|
1.0
|
O
|
A:PRO99
|
4.8
|
34.1
|
1.0
|
C
|
A:PHE101
|
4.8
|
35.4
|
1.0
|
O
|
A:VAL113
|
4.9
|
30.5
|
1.0
|
C
|
A:ARG111
|
5.0
|
47.1
|
1.0
|
CE2
|
A:PHE101
|
5.0
|
38.1
|
1.0
|
|
Chlorine binding site 4 out
of 4 in 3b7f
Go back to
Chlorine Binding Sites List in 3b7f
Chlorine binding site 4 out
of 4 in the Crystal Structure of A Putative Glycosyl Hydrolase with Bnr Repeats (REUT_B4987) From Ralstonia Eutropha JMP134 at 2.20 A Resolution
 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 A Putative Glycosyl Hydrolase with Bnr Repeats (REUT_B4987) From Ralstonia Eutropha JMP134 at 2.20 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl397
b:40.2
occ:1.00
|
O
|
A:HOH542
|
3.1
|
33.9
|
1.0
|
N
|
A:HIS383
|
3.2
|
23.3
|
1.0
|
CB
|
A:HIS383
|
3.8
|
27.2
|
1.0
|
CA
|
A:PRO382
|
3.8
|
24.0
|
1.0
|
C
|
A:PRO382
|
3.9
|
23.2
|
1.0
|
CA
|
A:HIS383
|
4.0
|
24.5
|
1.0
|
CB
|
A:PRO382
|
4.2
|
25.2
|
1.0
|
CG2
|
A:ILE29
|
4.2
|
19.3
|
1.0
|
O
|
A:HOH490
|
4.7
|
31.8
|
1.0
|
O1
|
A:EDO413
|
4.8
|
55.0
|
0.5
|
O
|
A:HOH673
|
4.9
|
26.7
|
0.5
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Sat Jul 20 16:23:47 2024
|