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Chlorine in PDB 7ass: Oxa-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48

Enzymatic activity of Oxa-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48

All present enzymatic activity of Oxa-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48:
3.5.2.6;

Protein crystallography data

The structure of Oxa-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48, PDB code: 7ass was solved by C.Frohlich, H.-K.S.Leiros, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.56 / 1.91
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 88.555, 108.476, 125.423, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 23

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Oxa-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48 (pdb code 7ass). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Oxa-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48, PDB code: 7ass:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 7ass

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Chlorine binding site 1 out of 5 in the Oxa-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Oxa-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:30.5
occ:1.00
 O B:HOH573 2.2 25.9 1.0
HH12 B:ARG206 2.2 19.4 1.0
HH22 D:ARG206 2.2 23.9 1.0
HH12 D:ARG206 2.3 26.5 1.0
HH22 B:ARG206 2.3 21.3 1.0
O D:HOH556 2.3 28.9 1.0
NH1 B:ARG206 3.0 16.1 1.0
NH2 D:ARG206 3.0 19.9 1.0
NH1 D:ARG206 3.0 22.1 1.0
NH2 B:ARG206 3.0 17.7 1.0
HD22 B:LEU196 3.2 22.7 1.0
HD22 D:LEU196 3.3 23.6 1.0
HA B:GLN193 3.4 20.5 1.0
HA D:GLN193 3.4 22.4 1.0
CZ D:ARG206 3.4 19.8 1.0
CZ B:ARG206 3.5 17.6 1.0
HG3 D:GLN193 3.5 21.2 1.0
HG3 B:GLN193 3.5 18.2 1.0
HH11 B:ARG206 3.7 19.4 1.0
HH21 D:ARG206 3.7 23.9 1.0
HH11 D:ARG206 3.7 26.5 1.0
HH21 B:ARG206 3.8 21.3 1.0
HB2 D:LEU196 4.1 18.9 1.0
HB2 B:LEU196 4.2 21.6 1.0
CD2 B:LEU196 4.2 18.9 1.0
HB2 B:GLN193 4.2 22.0 1.0
HB2 D:GLN193 4.3 20.5 1.0
CD2 D:LEU196 4.3 19.6 1.0
CA B:GLN193 4.3 17.1 1.0
CA D:GLN193 4.3 18.6 1.0
CG D:GLN193 4.4 17.7 1.0
CG B:GLN193 4.4 15.2 1.0
HD13 D:LEU196 4.4 19.8 1.0
HD23 B:LEU196 4.5 22.7 1.0
CB B:GLN193 4.5 18.3 1.0
HD13 B:LEU196 4.5 20.4 1.0
CB D:GLN193 4.5 17.0 1.0
HD21 B:LEU196 4.6 22.7 1.0
HD23 D:LEU196 4.7 23.6 1.0
HD21 D:LEU196 4.7 23.6 1.0
O B:HOH452 4.7 32.9 1.0
NE D:ARG206 4.8 17.7 1.0
NE B:ARG206 4.8 19.7 1.0
O D:HOH465 4.9 28.7 1.0
HG2 D:GLN193 4.9 21.2 1.0
HG2 B:GLN193 4.9 18.2 1.0
CB D:LEU196 5.0 15.7 1.0
CB B:LEU196 5.0 18.0 1.0
O D:HOH557 5.0 26.5 1.0

Chlorine binding site 2 out of 5 in 7ass

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Chlorine binding site 2 out of 5 in the Oxa-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Oxa-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:29.2
occ:1.00
 O A:HOH451 2.2 26.1 1.0
HH12 A:ARG206 2.3 23.3 1.0
O C:HOH560 2.3 27.7 1.0
HH22 C:ARG206 2.3 28.0 1.0
HH12 C:ARG206 2.3 25.3 1.0
HH22 A:ARG206 2.3 24.7 1.0
NH2 C:ARG206 3.0 23.3 1.0
NH1 C:ARG206 3.0 21.1 1.0
NH1 A:ARG206 3.1 19.4 1.0
NH2 A:ARG206 3.1 20.5 1.0
HA C:GLN193 3.4 20.8 1.0
HD22 C:LEU196 3.4 27.5 1.0
HD22 A:LEU196 3.4 24.1 1.0
HA A:GLN193 3.4 19.9 1.0
CZ C:ARG206 3.5 24.8 1.0
HG3 A:GLN193 3.5 27.3 1.0
CZ A:ARG206 3.5 22.5 1.0
HG3 C:GLN193 3.7 22.4 1.0
HH21 C:ARG206 3.7 28.0 1.0
HH11 A:ARG206 3.7 23.3 1.0
HH11 C:ARG206 3.7 25.3 1.0
HH21 A:ARG206 3.8 24.7 1.0
HB2 C:GLN193 4.0 18.8 1.0
HB2 C:LEU196 4.1 20.8 1.0
HB2 A:LEU196 4.1 23.4 1.0
HB2 A:GLN193 4.2 21.3 1.0
CA C:GLN193 4.2 17.3 1.0
CA A:GLN193 4.3 16.5 1.0
CD2 C:LEU196 4.3 22.9 1.0
CG A:GLN193 4.3 22.7 1.0
CD2 A:LEU196 4.4 20.1 1.0
CB C:GLN193 4.4 15.7 1.0
CG C:GLN193 4.5 18.6 1.0
CB A:GLN193 4.5 17.7 1.0
HD13 C:LEU196 4.5 23.6 1.0
HD13 A:LEU196 4.6 18.9 1.0
HD23 C:LEU196 4.7 27.5 1.0
O A:HOH369 4.7 32.1 1.0
HD23 A:LEU196 4.7 24.1 1.0
NE C:ARG206 4.8 14.5 1.0
HD21 A:LEU196 4.8 24.1 1.0
HD21 C:LEU196 4.8 27.5 1.0
O C:HOH446 4.8 31.8 1.0
NE A:ARG206 4.9 16.7 1.0
HG2 A:GLN193 4.9 27.3 1.0
CB C:LEU196 4.9 17.3 1.0
O C:HOH552 4.9 26.6 1.0
CB A:LEU196 5.0 19.5 1.0
O C:GLN193 5.0 19.2 1.0
O A:GLN193 5.0 16.2 1.0

Chlorine binding site 3 out of 5 in 7ass

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Chlorine binding site 3 out of 5 in the Oxa-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Oxa-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl303

b:57.9
occ:1.00
 HH22 C:ARG250 2.3 34.7 1.0
O C:HOH511 2.4 43.9 1.0
O C:HOH568 2.7 45.8 1.0
HA2 C:GLY210 3.0 32.6 1.0
HB2 C:TYR211 3.2 35.4 1.0
HB C:THR209 3.2 29.6 1.0
NH2 C:ARG250 3.2 28.9 1.0
C C:GLY210 3.3 17.3 1.0
CA C:GLY210 3.4 27.2 1.0
HH12 C:ARG250 3.4 31.4 1.0
N C:GLY210 3.5 18.4 1.0
HG1 C:THR209 3.5 26.9 1.0
N C:TYR211 3.5 30.0 1.0
OG1 C:THR209 3.5 22.4 1.0
H C:TYR211 3.6 36.0 1.0
HH21 C:ARG250 3.6 34.7 1.0
H C:GLY210 3.7 22.1 1.0
HB3 C:TYR211 3.8 35.4 1.0
O C:GLY210 3.8 23.7 1.0
C C:THR209 3.8 22.0 1.0
CB C:THR209 3.8 24.7 1.0
HG C:SER118 3.8 48.2 1.0
CB C:TYR211 3.8 29.5 1.0
HB2 C:SER70 4.0 31.5 1.0
O C:HOH450 4.0 23.7 1.0
O C:HOH592 4.1 47.8 1.0
NH1 C:ARG250 4.1 26.1 1.0
CZ C:ARG250 4.1 27.0 1.0
O C:THR209 4.1 20.2 1.0
CA C:TYR211 4.3 27.7 1.0
HA3 C:GLY210 4.4 32.6 1.0
CA C:THR209 4.5 23.0 1.0
HD13 C:LEU247 4.6 39.4 1.0
OG C:SER118 4.6 40.2 1.0
HZ3 C:LYS208 4.7 29.4 1.0
HB2 C:SER118 4.8 29.2 1.0
HA C:TYR211 4.8 33.3 1.0
CB C:SER70 4.8 26.2 1.0
HH11 C:ARG250 4.9 31.4 1.0
HZ1 C:LYS208 4.9 29.4 1.0
O C:HOH503 4.9 30.0 1.0
HD22 C:LEU247 5.0 44.4 1.0

Chlorine binding site 4 out of 5 in 7ass

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Chlorine binding site 4 out of 5 in the Oxa-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Oxa-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl304

b:59.9
occ:1.00
 HE22 C:GLN124 2.3 36.9 1.0
HH22 C:ARG214 2.5 45.2 1.0
HH12 C:ARG214 2.5 28.5 1.0
NE2 C:GLN124 3.1 30.7 1.0
NH2 C:ARG214 3.3 37.6 1.0
NH1 C:ARG214 3.3 23.8 1.0
HE21 C:GLN124 3.3 36.9 1.0
HN18 C:RYE301 3.7 47.1 1.0
CZ C:ARG214 3.8 42.1 1.0
HB2 C:SER155 3.9 42.2 1.0
HH21 C:ARG214 4.0 45.2 1.0
O C:HOH411 4.0 77.6 1.0
HH11 C:ARG214 4.0 28.5 1.0
HB3 C:SER155 4.1 42.2 1.0
CD C:GLN124 4.2 34.6 1.0
S16 C:RYE301 4.3 47.9 1.0
C17 C:RYE301 4.3 55.3 1.0
N18 C:RYE301 4.3 39.2 1.0
CB C:SER155 4.5 35.2 1.0
OE1 C:GLN124 4.5 30.2 1.0
O C:HOH545 4.7 44.5 1.0
O C:ASP154 4.9 27.2 1.0
O C:HOH430 4.9 30.0 1.0
N19 C:RYE301 4.9 38.1 1.0
C15 C:RYE301 4.9 45.9 1.0

Chlorine binding site 5 out of 5 in 7ass

Go back to Chlorine Binding Sites List in 7ass
Chlorine binding site 5 out of 5 in the Oxa-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Oxa-48_L67F_CAZ. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:57.0
occ:1.00
 HH22 D:ARG250 2.2 37.5 1.0
NH2 D:ARG250 3.1 31.2 1.0
HB2 D:TYR211 3.1 39.2 1.0
HA2 D:GLY210 3.2 24.8 1.0
HH12 D:ARG250 3.2 40.3 1.0
HB D:THR209 3.3 29.1 1.0
HG1 D:THR209 3.4 28.8 1.0
OG1 D:THR209 3.5 24.0 1.0
HG D:SER118 3.5 29.2 0.7
HH21 D:ARG250 3.6 37.5 1.0
C D:GLY210 3.6 22.1 1.0
CA D:GLY210 3.7 20.6 1.0
N D:TYR211 3.7 27.5 1.0
N D:GLY210 3.7 19.9 1.0
H D:TYR211 3.8 33.0 1.0
HB3 D:TYR211 3.8 39.2 1.0
NH1 D:ARG250 3.9 33.6 1.0
CB D:THR209 3.9 24.2 1.0
CB D:TYR211 3.9 32.6 1.0
CZ D:ARG250 3.9 32.5 1.0
O D:HOH418 3.9 36.4 1.0
C D:THR209 4.0 20.5 1.0
H D:GLY210 4.0 23.9 1.0
O D:GLY210 4.1 20.8 1.0
HB2 D:SER70 4.3 30.0 1.0
O D:THR209 4.3 20.6 1.0
OG D:SER118 4.3 24.3 0.7
O D:HOH461 4.4 24.8 1.0
CA D:TYR211 4.4 28.4 1.0
HD22 D:LEU247 4.4 46.6 1.0
OG D:SER118 4.6 20.2 0.3
HA3 D:GLY210 4.6 24.8 1.0
CA D:THR209 4.6 21.0 1.0
HB2 D:SER118 4.6 32.5 0.3
HH11 D:ARG250 4.7 40.3 1.0
HD13 D:LEU247 4.7 44.7 1.0
HB2 D:SER118 4.8 32.6 0.7
HB3 D:SER118 4.8 32.6 0.7
O D:HOH483 4.8 32.8 1.0
HB3 D:SER118 4.8 32.5 0.3
HA D:TYR211 4.9 34.2 1.0
HZ3 D:LYS208 4.9 23.3 1.0
CB D:SER118 4.9 27.2 0.7
CB D:SER118 4.9 27.1 0.3
HZ2 D:LYS208 4.9 23.3 1.0

Reference:

C.Frohlich, K.Harms, V.Hirvonen, B.A.Lund, M.V.Kamp, P.J.Johnsen, O.Samuelsen, H.-K.S.Leiros. What Doesnt Kill You Makes You Stronger: Sub-Mic Selection Drives Cryptic Evolution of Oxa-48 To Be Published.
Page generated: Mon Jul 29 18:41:39 2024

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