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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:

Zinc (Zn) 2 atoms

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 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

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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

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