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Chlorine in PDB 6qxv: Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips)

Enzymatic activity of Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips)

All present enzymatic activity of Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips):
3.4.21.64;

Protein crystallography data

The structure of Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips), PDB code: 6qxv was solved by A.Tolstikova, D.Oberthuer, A.Meents, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.70 / 1.94
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 68.620, 68.620, 104.520, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 22.7

Other elements in 6qxv:

The structure of Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips) also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips) (pdb code 6qxv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips), PDB code: 6qxv:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 6qxv

Go back to Chlorine Binding Sites List in 6qxv
Chlorine binding site 1 out of 3 in the Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl314

b:46.9
occ:1.00
 H A:ASP260 2.1 25.5 1.0
HB2 A:ASP260 2.7 24.4 1.0
OD1 A:ASN270 2.8 22.4 1.0
HG A:LEU261 2.9 46.0 1.0
N A:ASP260 2.9 21.3 1.0
O A:ASN257 3.0 20.4 1.0
H A:GLY259 3.1 24.8 1.0
H A:LEU261 3.1 22.6 1.0
O A:ASN270 3.3 18.9 1.0
HB2 A:LEU272 3.3 26.6 1.0
N A:GLY259 3.4 20.7 1.0
HA A:LEU271 3.4 25.5 1.0
HA A:LYS258 3.4 31.6 1.0
CB A:ASP260 3.5 20.4 1.0
CA A:ASP260 3.6 18.1 1.0
H A:LEU272 3.6 20.6 1.0
N A:LEU261 3.6 18.9 1.0
C A:ASN270 3.6 21.9 1.0
HB3 A:LEU272 3.7 26.6 1.0
C A:ASN257 3.8 18.7 1.0
C A:LYS258 3.8 25.0 1.0
N A:LEU272 3.8 17.2 1.0
N A:LEU271 3.8 16.4 1.0
CG A:LEU261 3.8 38.4 1.0
C A:GLY259 3.9 30.3 1.0
CA A:LEU271 3.9 21.3 1.0
CB A:LEU272 3.9 22.2 1.0
CA A:LYS258 4.0 26.4 1.0
CG A:ASN270 4.0 20.0 1.0
C A:ASP260 4.0 25.8 1.0
C A:LEU271 4.0 19.8 1.0
CA A:GLY259 4.1 21.8 1.0
N A:LYS258 4.1 22.5 1.0
HD12 A:LEU261 4.2 34.7 1.0
HB3 A:ASP260 4.2 24.4 1.0
HB2 A:LEU261 4.2 22.0 1.0
HB3 A:ASN257 4.3 21.1 1.0
CG A:ASP260 4.3 34.3 1.0
H A:LEU271 4.3 19.7 1.0
HB2 A:ASN257 4.3 21.1 1.0
HA2 A:GLY259 4.3 26.1 1.0
CB A:LEU261 4.4 18.4 1.0
CD1 A:LEU261 4.5 28.9 1.0
CA A:LEU272 4.5 15.8 1.0
HA A:ASP260 4.5 21.6 1.0
HD11 A:LEU261 4.6 34.7 1.0
O A:LYS258 4.6 24.6 1.0
CA A:ASN270 4.6 16.1 1.0
CA A:LEU261 4.6 20.3 1.0
HA A:ASN270 4.6 19.3 1.0
CB A:ASN257 4.6 17.7 1.0
HD23 A:LEU261 4.7 30.4 1.0
CD2 A:LEU261 4.7 25.4 1.0
HD21 A:LEU261 4.7 30.4 1.0
CB A:ASN270 4.7 18.3 1.0
HD22 A:LEU272 4.7 29.5 1.0
OD2 A:ASP260 4.7 43.6 1.0
HB3 A:ASN270 4.8 21.9 1.0
H A:LYS258 4.8 27.0 1.0
O A:LEU271 4.8 15.3 1.0
CA A:ASN257 4.9 21.7 1.0
OD1 A:ASP260 4.9 42.4 1.0
HA3 A:GLY259 4.9 26.1 1.0
HD21 A:ASN270 5.0 27.4 1.0
ND2 A:ASN270 5.0 22.9 1.0
HA A:LEU272 5.0 18.9 1.0

Chlorine binding site 2 out of 3 in 6qxv

Go back to Chlorine Binding Sites List in 6qxv
Chlorine binding site 2 out of 3 in the Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl315

b:38.3
occ:1.00
 HG A:SER130 2.2 26.4 1.0
HG A:SER132 2.3 21.7 1.0
O A:HOH458 2.7 20.5 1.0
OG A:SER132 2.7 18.1 1.0
OG A:SER130 2.7 22.1 1.0
HB3 A:CYS73 2.7 19.7 1.0
HB2 A:SER132 3.0 27.0 1.0
HG13 A:VAL37 3.1 35.1 1.0
H A:SER132 3.1 19.9 1.0
HB3 A:SER130 3.2 16.3 1.0
CB A:SER132 3.3 22.6 1.0
CB A:SER130 3.5 13.7 1.0
HD3 A:PRO228 3.5 21.8 1.0
CB A:CYS73 3.5 16.4 1.0
N A:SER132 3.6 16.6 1.0
O A:SER130 3.7 18.5 1.0
C A:SER130 3.7 19.1 1.0
HB3 A:PRO228 3.7 27.2 1.0
HB2 A:CYS73 3.8 19.7 1.0
HG3 A:PRO228 3.9 18.9 1.0
CG1 A:VAL37 3.9 29.3 1.0
SG A:CYS73 3.9 20.3 1.0
CA A:SER132 4.1 16.4 1.0
HG11 A:VAL37 4.1 35.1 1.0
N A:LEU131 4.1 18.2 1.0
HB3 A:SER132 4.1 27.0 1.0
HG12 A:VAL37 4.1 35.1 1.0
CA A:SER130 4.2 15.3 1.0
HA A:LEU131 4.2 21.7 1.0
HG A:CYS73 4.2 24.3 1.0
HB A:THR227 4.2 17.3 1.0
HB2 A:SER130 4.3 16.3 1.0
CD A:PRO228 4.3 18.2 1.0
HG22 A:THR227 4.3 23.2 1.0
C A:LEU131 4.3 16.0 1.0
CG A:PRO228 4.4 15.8 1.0
CB A:PRO228 4.4 22.7 1.0
HG21 A:THR227 4.5 23.2 1.0
CA A:LEU131 4.5 18.1 1.0
HA A:SER132 4.5 19.7 1.0
H A:LEU131 4.5 21.8 1.0
OD2 A:ASP39 4.5 22.7 1.0
HA A:SER130 4.6 18.3 1.0
O A:SER224 4.6 19.5 1.0
HA A:VAL37 4.6 23.5 1.0
CG2 A:THR227 4.7 19.3 1.0
HA A:PRO228 4.8 22.9 1.0
H A:ILE38 4.8 18.1 1.0
CA A:CYS73 4.8 15.0 1.0
HB2 A:ASP39 4.8 19.5 1.0
N A:PRO228 4.9 14.4 1.0
HG22 A:VAL37 4.9 29.7 1.0
HA A:CYS73 4.9 17.9 1.0
CB A:THR227 5.0 14.5 1.0

Chlorine binding site 3 out of 3 in 6qxv

Go back to Chlorine Binding Sites List in 6qxv
Chlorine binding site 3 out of 3 in the Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Pink Beam Serial Crystallography: Proteinase K, 1 Us Exposure, 1585 Patterns Merged (2 Chips) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl316

b:36.1
occ:1.00
 O A:HOH533 2.1 30.8 1.0
O A:PRO175 2.4 27.0 0.2
O A:HOH401 2.5 30.3 1.0
O A:VAL177 2.6 17.7 1.0
O A:PRO175 2.6 27.0 0.8
OD2 A:ASP200 2.6 16.3 1.0
CA A:CA301 2.7 38.9 1.0
O A:HOH420 2.7 39.2 1.0
OD1 A:ASP200 2.7 27.5 1.0
CG A:ASP200 3.0 19.3 1.0
C A:PRO175 3.5 20.0 0.2
C A:PRO175 3.6 19.6 0.8
HA A:PRO175 3.7 27.4 0.8
HA A:PRO175 3.7 27.7 0.2
C A:VAL177 3.8 14.5 1.0
HA A:CYS178 3.8 21.5 1.0
O3 A:SO4312 4.0 70.4 1.0
H A:THR179 4.1 19.2 1.0
H A:VAL177 4.2 17.2 1.0
CA A:PRO175 4.2 22.9 0.8
CA A:PRO175 4.2 23.1 0.2
N A:VAL177 4.3 14.4 1.0
CB A:ASP200 4.4 18.2 1.0
O A:GLU174 4.5 20.7 1.0
HA A:SER176 4.5 21.9 1.0
C A:SER176 4.5 23.1 1.0
O A:VAL198 4.6 21.0 1.0
N A:SER176 4.6 16.2 1.0
CA A:CYS178 4.6 17.9 1.0
N A:CYS178 4.7 20.9 1.0
CA A:VAL177 4.7 15.0 1.0
HB3 A:ASP200 4.7 21.8 1.0
CA A:SER176 4.8 18.3 1.0
N A:THR179 4.8 16.1 1.0
HB2 A:ASP200 4.8 21.8 1.0
O A:HOH525 4.8 40.0 1.0
O4 A:SO4310 4.9 54.1 1.0
SG A:CYS249 4.9 18.6 1.0
HB3 A:PRO175 4.9 34.1 0.8
HB A:THR179 5.0 27.4 1.0
O A:HOH492 5.0 37.4 1.0
OG1 A:THR179 5.0 19.4 1.0
O3 A:SO4310 5.0 0.9 1.0

Reference:

A.Tolstikova, M.Levantino, O.Yefanov, V.Hennicke, P.Fischer, J.Meyer, A.Mozzanica, S.Redford, E.Crosas, N.L.Opara, M.Barthelmess, J.Lieske, D.Oberthuer, E.Wator, I.Mohacsi, M.Wulff, B.Schmitt, H.N.Chapman, A.Meents. 1 Khz Fixed-Target Serial Crystallography Using A Multilayer Monochromator and An Integrating Pixel Detector. Iucrj V. 6 927 2019.
ISSN: ESSN 2052-2525
PubMed: 31576225
DOI: 10.1107/S205225251900914X
Page generated: Mon Jul 29 14:13:30 2024

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