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Chlorine in PDB 6owy: Spy H96L:IM7 K20PI-Phe Complex; Multiple Anomalous Datasets Contained Herein For Element Identification

Protein crystallography data

The structure of Spy H96L:IM7 K20PI-Phe Complex; Multiple Anomalous Datasets Contained Herein For Element Identification, PDB code: 6owy was solved by S.Rocchio, R.Duman, K.El Omari, V.Mykhaylyk, Z.Yan, A.Wagner, J.C.A.Bardwell, S.Horowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.84 / 2.07
Space group P 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 42.840, 42.840, 257.630, 90.00, 90.00, 90.00
R / Rfree (%) 22.7 / 27.3

Other elements in 6owy:

The structure of Spy H96L:IM7 K20PI-Phe Complex; Multiple Anomalous Datasets Contained Herein For Element Identification also contains other interesting chemical elements:

Zinc (Zn) 11 atoms
Iodine (I) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Spy H96L:IM7 K20PI-Phe Complex; Multiple Anomalous Datasets Contained Herein For Element Identification (pdb code 6owy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Spy H96L:IM7 K20PI-Phe Complex; Multiple Anomalous Datasets Contained Herein For Element Identification, PDB code: 6owy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6owy

Go back to Chlorine Binding Sites List in 6owy
Chlorine binding site 1 out of 2 in the Spy H96L:IM7 K20PI-Phe Complex; Multiple Anomalous Datasets Contained Herein For Element Identification


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Spy H96L:IM7 K20PI-Phe Complex; Multiple Anomalous Datasets Contained Herein For Element Identification within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:50.7
occ:1.00
ZN A:ZN205 2.4 42.1 1.0
HE2 A:PHE119 3.0 71.9 1.0
HA B:ARG62 3.1 81.5 1.0
HD2 A:PHE119 3.1 58.7 1.0
HB2 B:HIS65 3.2 54.0 1.0
O B:ARG61 3.3 57.0 1.0
OE2 A:GLU120 3.5 45.1 1.0
CE2 A:PHE119 3.7 60.0 1.0
C B:ARG61 3.7 64.9 1.0
CD2 A:PHE119 3.7 49.0 1.0
ND1 B:HIS65 3.8 45.7 1.0
HB3 B:HIS65 3.9 54.0 1.0
N B:ARG62 3.9 52.2 1.0
CA B:ARG62 3.9 68.0 1.0
CB B:HIS65 3.9 45.1 1.0
HA A:GLU120 4.0 56.2 1.0
CD A:GLU120 4.0 58.7 1.0
OE1 A:GLU120 4.0 54.8 1.0
CG B:ARG61 4.1 71.6 1.0
CG B:HIS65 4.2 43.4 1.0
CB B:ARG61 4.3 64.5 1.0
H B:ARG62 4.3 62.6 1.0
CB B:ARG62 4.7 43.5 1.0
CA B:ARG61 4.7 77.5 1.0
CD B:ARG61 4.8 77.4 1.0
H B:HIS65 4.9 46.8 1.0
CE1 B:HIS65 4.9 51.5 1.0
O A:PHE119 4.9 56.7 1.0
CA A:GLU120 4.9 47.0 1.0
NE B:ARG61 5.0 76.7 1.0
CZ A:PHE119 5.0 43.4 1.0

Chlorine binding site 2 out of 2 in 6owy

Go back to Chlorine Binding Sites List in 6owy
Chlorine binding site 2 out of 2 in the Spy H96L:IM7 K20PI-Phe Complex; Multiple Anomalous Datasets Contained Herein For Element Identification


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Spy H96L:IM7 K20PI-Phe Complex; Multiple Anomalous Datasets Contained Herein For Element Identification within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:38.8
occ:1.00
ZN A:ZN208 2.3 38.8 1.0
HA A:ARG62 2.9 61.7 0.5
HE1 B:PHE119 2.9 53.9 1.0
HA A:ARG62 2.9 62.2 0.6
HG2 A:ARG61 3.1 91.9 1.0
HB2 A:HIS65 3.1 43.4 1.0
NH2 A:ARG62 3.1 36.5 0.6
HD1 B:PHE119 3.1 45.2 1.0
O A:HOH311 3.3 0.0 1.0
OE1 B:GLU120 3.4 41.1 1.0
ND1 A:HIS65 3.6 46.9 1.0
CD A:ARG62 3.6 51.9 0.6
CE1 B:PHE119 3.6 45.0 1.0
OE2 B:GLU120 3.6 34.4 1.0
CA A:ARG62 3.7 51.5 0.5
CD1 B:PHE119 3.7 37.8 1.0
CA A:ARG62 3.7 52.0 0.6
N A:ARG62 3.8 41.2 0.6
CG A:ARG62 3.8 53.1 0.5
HB3 A:HIS65 3.8 43.4 1.0
CB A:HIS65 3.8 36.3 1.0
N A:ARG62 3.8 42.9 0.5
O A:ARG61 3.9 41.9 1.0
HB3 A:ARG61 3.9 62.6 1.0
CD B:GLU120 3.9 35.4 1.0
C A:ARG61 3.9 53.3 1.0
CG A:ARG61 4.0 76.7 1.0
HA B:GLU120 4.1 59.2 1.0
CZ A:ARG62 4.1 39.9 0.6
CG A:HIS65 4.1 48.5 1.0
H A:ARG62 4.2 49.3 0.6
H A:ARG62 4.2 51.4 0.5
HG3 A:ARG61 4.3 91.9 1.0
NE A:ARG62 4.3 46.3 0.6
CB A:ARG62 4.3 50.8 0.5
CB A:ARG61 4.4 52.3 1.0
CG A:ARG62 4.5 54.8 0.6
CB A:ARG62 4.5 48.9 0.6
CE1 A:HIS65 4.7 38.9 1.0
O A:HOH310 4.7 47.0 1.0
H A:HIS65 4.7 42.9 1.0
HE A:ARG61 4.8 95.9 1.0
C A:ARG62 4.8 43.5 0.6
CA A:ARG61 4.8 50.7 1.0
C A:ARG62 4.8 45.1 0.5
CZ B:PHE119 4.9 47.9 1.0
O B:PHE119 4.9 45.3 1.0
HE1 A:HIS65 4.9 46.6 1.0
CD A:ARG62 4.9 50.7 0.5
NE A:ARG61 5.0 80.0 1.0
O A:ARG62 5.0 42.2 0.6

Reference:

S.Rocchio, R.Duman, K.El Omari, V.Mykhaylyk, Z.Yan, A.Wagner, J.C.A.Bardwell, S.Horowitz. Identifying Dynamic, Partially Occupied Residues Using Anomalous Scattering To Be Published.
Page generated: Sat Jul 12 18:01:58 2025

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