Chlorine in PDB 2wg3: Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium
Protein crystallography data
The structure of Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium, PDB code: 2wg3
was solved by
B.Bishop,
A.R.Aricescu,
K.Harlos,
C.A.O'callaghan,
E.Y.Jones,
C.Siebold,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
2.60
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
102.821,
110.701,
144.381,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
22.4 /
28.1
|
Other elements in 2wg3:
The structure of Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium
(pdb code 2wg3). 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 the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium, PDB code: 2wg3:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 2wg3
Go back to
Chlorine Binding Sites List in 2wg3
Chlorine binding site 1 out
of 6 in the Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium
 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 the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1200
b:59.1
occ:1.00
|
CG
|
A:GLU72
|
3.5
|
21.3
|
1.0
|
N
|
A:GLU72
|
3.6
|
18.2
|
1.0
|
CB
|
A:GLU72
|
4.0
|
19.1
|
1.0
|
CA
|
A:SER71
|
4.4
|
17.4
|
1.0
|
CA
|
A:GLU72
|
4.4
|
18.9
|
1.0
|
CE1
|
B:TYR81
|
4.4
|
22.1
|
1.0
|
C
|
A:SER71
|
4.4
|
17.7
|
1.0
|
CB
|
A:SER71
|
4.5
|
17.3
|
1.0
|
CD1
|
B:TYR81
|
4.6
|
21.5
|
1.0
|
CD
|
A:GLU72
|
4.9
|
24.4
|
1.0
|
NH2
|
B:ARG97
|
4.9
|
22.3
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 2wg3
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Chlorine Binding Sites List in 2wg3
Chlorine binding site 2 out
of 6 in the Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium
 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 the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1642
b:50.8
occ:1.00
|
N
|
C:VAL496
|
3.6
|
17.4
|
1.0
|
NH1
|
C:ARG434
|
3.6
|
29.2
|
1.0
|
NH2
|
C:ARG434
|
3.7
|
29.7
|
1.0
|
N
|
C:VAL437
|
3.7
|
28.4
|
1.0
|
O
|
C:VAL437
|
3.9
|
29.2
|
1.0
|
O
|
C:VAL496
|
4.0
|
17.6
|
1.0
|
CB
|
C:PHE495
|
4.1
|
17.8
|
1.0
|
CA
|
C:PHE495
|
4.1
|
17.9
|
1.0
|
CZ
|
C:ARG434
|
4.1
|
29.6
|
1.0
|
OE2
|
C:GLU556
|
4.4
|
30.8
|
1.0
|
C
|
C:PHE495
|
4.4
|
17.6
|
1.0
|
CA
|
C:VAL437
|
4.4
|
28.7
|
1.0
|
CB
|
C:VAL437
|
4.5
|
28.6
|
1.0
|
C
|
C:VAL437
|
4.5
|
29.0
|
1.0
|
CA
|
C:VAL496
|
4.5
|
17.3
|
1.0
|
CA
|
C:ALA436
|
4.5
|
27.2
|
1.0
|
CB
|
C:VAL496
|
4.5
|
17.3
|
1.0
|
CG2
|
C:VAL437
|
4.5
|
28.9
|
1.0
|
CG2
|
C:VAL496
|
4.6
|
17.2
|
1.0
|
C
|
C:ALA436
|
4.6
|
27.7
|
1.0
|
C
|
C:VAL496
|
4.7
|
17.4
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 2wg3
Go back to
Chlorine Binding Sites List in 2wg3
Chlorine binding site 3 out
of 6 in the Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium
 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 the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1643
b:54.5
occ:1.00
|
NE2
|
C:GLN420
|
3.8
|
24.7
|
1.0
|
CE1
|
C:HIS414
|
3.9
|
20.6
|
1.0
|
NE2
|
C:HIS414
|
3.9
|
21.5
|
1.0
|
N
|
C:GLU477
|
4.0
|
28.7
|
1.0
|
OE1
|
C:GLU477
|
4.2
|
21.8
|
1.0
|
CB
|
C:GLU477
|
4.4
|
27.6
|
1.0
|
CD
|
C:GLU477
|
4.4
|
23.6
|
1.0
|
CG
|
C:GLU477
|
4.5
|
26.0
|
1.0
|
CB
|
C:SER476
|
4.6
|
30.2
|
1.0
|
CA
|
C:SER476
|
4.7
|
30.0
|
1.0
|
CA
|
C:GLU477
|
4.8
|
28.3
|
1.0
|
C
|
C:SER476
|
4.9
|
29.4
|
1.0
|
CD
|
C:GLN420
|
4.9
|
23.3
|
1.0
|
OE2
|
C:GLU477
|
5.0
|
19.4
|
1.0
|
|
Chlorine binding site 4 out
of 6 in 2wg3
Go back to
Chlorine Binding Sites List in 2wg3
Chlorine binding site 4 out
of 6 in the Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium
 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 the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl1641
b:60.7
occ:1.00
|
O
|
D:VAL326
|
3.3
|
16.0
|
1.0
|
OD2
|
D:ASP335
|
3.5
|
19.1
|
1.0
|
N
|
D:ARG328
|
3.6
|
15.5
|
1.0
|
CA
|
D:SER327
|
3.9
|
15.0
|
1.0
|
CB
|
D:ASP335
|
4.1
|
17.5
|
1.0
|
CG2
|
D:THR338
|
4.1
|
16.3
|
1.0
|
C
|
D:SER327
|
4.1
|
15.0
|
1.0
|
C
|
D:VAL326
|
4.2
|
15.5
|
1.0
|
CG
|
D:ASP335
|
4.2
|
18.2
|
1.0
|
CG
|
D:ARG328
|
4.3
|
17.6
|
1.0
|
CG2
|
D:THR325
|
4.3
|
15.9
|
1.0
|
CB
|
D:ARG328
|
4.4
|
15.9
|
1.0
|
N
|
D:SER327
|
4.5
|
15.4
|
1.0
|
CA
|
D:ARG328
|
4.6
|
15.8
|
1.0
|
CD
|
D:ARG328
|
4.7
|
19.1
|
1.0
|
O
|
D:THR325
|
4.7
|
16.2
|
1.0
|
CB
|
D:THR325
|
4.7
|
16.1
|
1.0
|
CB
|
D:SER327
|
4.9
|
14.8
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 2wg3
Go back to
Chlorine Binding Sites List in 2wg3
Chlorine binding site 5 out
of 6 in the Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium
 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 the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl1642
b:60.3
occ:1.00
|
OG
|
D:SER224
|
3.3
|
18.1
|
1.0
|
NZ
|
D:LYS578
|
3.3
|
18.4
|
1.0
|
OE2
|
D:GLU221
|
3.4
|
23.7
|
1.0
|
CB
|
D:SER224
|
3.7
|
17.4
|
1.0
|
CE
|
D:LYS578
|
4.4
|
17.3
|
1.0
|
CD
|
D:GLU221
|
4.4
|
22.9
|
1.0
|
ND2
|
D:ASN576
|
4.6
|
12.0
|
1.0
|
OE1
|
D:GLU221
|
4.6
|
24.4
|
1.0
|
OD1
|
D:ASN576
|
4.7
|
13.2
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 2wg3
Go back to
Chlorine Binding Sites List in 2wg3
Chlorine binding site 6 out
of 6 in the Crystal Structure of the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium
 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 the Complex Between Human Hedgehog- Interacting Protein Hip and Desert Hedgehog Without Calcium within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl1643
b:71.2
occ:1.00
|
CG
|
D:GLU532
|
3.7
|
22.9
|
1.0
|
CD
|
D:GLU532
|
4.0
|
26.3
|
1.0
|
C
|
D:LYS533
|
4.1
|
21.2
|
1.0
|
N
|
D:PRO534
|
4.1
|
21.0
|
1.0
|
CB
|
D:SER487
|
4.2
|
29.0
|
1.0
|
OE1
|
D:GLU532
|
4.3
|
28.6
|
1.0
|
CA
|
D:LYS533
|
4.4
|
21.2
|
1.0
|
OG
|
D:SER487
|
4.4
|
29.6
|
1.0
|
CG
|
D:PRO534
|
4.4
|
21.1
|
1.0
|
CD
|
D:PRO534
|
4.4
|
21.1
|
1.0
|
O
|
D:LYS533
|
4.4
|
21.6
|
1.0
|
CA
|
D:PRO534
|
4.6
|
20.7
|
1.0
|
OE2
|
D:GLU532
|
4.6
|
28.2
|
1.0
|
N
|
D:LYS533
|
4.7
|
20.8
|
1.0
|
C
|
D:GLU532
|
4.8
|
20.5
|
1.0
|
O
|
D:GLU532
|
4.8
|
20.1
|
1.0
|
CB
|
D:PRO534
|
4.8
|
20.6
|
1.0
|
CB
|
D:GLU532
|
4.9
|
20.8
|
1.0
|
CB
|
D:LEU519
|
5.0
|
16.5
|
1.0
|
|
Reference:
B.Bishop,
A.R.Aricescu,
K.Harlos,
C.A.O'callaghan,
E.Y.Jones,
C.Siebold.
Structural Insights Into Hedgehog Ligand Sequestration By the Human Hedgehog-Interacting Protein Hip Nat.Struct.Mol.Biol. V. 16 698 2009.
ISSN: ISSN 1545-9993
PubMed: 19561611
DOI: 10.1038/NSMB.1607
Page generated: Sat Jul 20 12:48:49 2024
|