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Chlorine in PDB 8un3: Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One)

Enzymatic activity of Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One)

All present enzymatic activity of Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One):
3.6.5.2;

Protein crystallography data

The structure of Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One), PDB code: 8un3 was solved by M.H.Ultsch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.69 / 2.07
Space group P 32
Cell size a, b, c (Å), α, β, γ (°) 69.217, 69.217, 166.92, 90, 90, 120
R / Rfree (%) 16.2 / 19.1

Other elements in 8un3:

The structure of Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One) also contains other interesting chemical elements:

Magnesium (Mg) 5 atoms
Fluorine (F) 16 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One) (pdb code 8un3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One), PDB code: 8un3:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 8un3

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Chlorine binding site 1 out of 8 in the Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:35.3
occ:1.00
 CL A:XOI201 0.0 35.3 1.0
C12 A:XOI201 1.7 27.7 1.0
C11 A:XOI201 2.7 30.3 1.0
C7 A:XOI201 2.7 27.5 1.0
O A:XOI201 2.8 29.1 1.0
C4 A:XOI201 3.0 29.2 1.0
NH2 A:ARG68 3.3 35.3 1.0
CL A:CL205 3.5 44.8 1.0
CE A:MET72 3.5 29.3 1.0
N A:XOI201 3.5 31.3 1.0
F A:XOI201 3.5 30.1 1.0
C5 A:XOI201 3.7 27.7 1.0
C8 A:XOI201 4.0 24.8 1.0
NE A:ARG68 4.0 35.9 1.0
C10 A:XOI201 4.0 29.1 1.0
CZ A:ARG68 4.0 35.5 1.0
C13 A:XOI201 4.0 26.3 1.0
C6 A:XOI201 4.1 31.9 1.0
SD A:MET72 4.2 33.8 1.0
CB A:THR58 4.3 36.0 1.0
H8 A:XOI201 4.3 31.2 1.0
H9 A:XOI201 4.3 31.2 1.0
CG2 A:THR58 4.3 33.9 1.0
CG A:MET72 4.4 30.4 1.0
C3 A:XOI201 4.5 30.0 1.0
C9 A:XOI201 4.5 23.3 1.0
F2 A:XOI201 4.6 29.4 1.0
C1 A:XOI201 4.7 24.9 1.0
OG1 A:THR58 4.8 30.6 1.0
H7 A:XOI201 4.8 29.4 1.0

Chlorine binding site 2 out of 8 in 8un3

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Chlorine binding site 2 out of 8 in the Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:34.4
occ:1.00
 O A:HOH351 3.2 42.7 1.0
NE A:ARG102 4.0 25.9 1.0
O A:HOH386 4.2 36.3 1.0
NE D:ARG102 4.2 27.4 1.0
CZ A:ARG102 4.3 29.0 1.0
CZ D:ARG102 4.3 30.1 1.0
CD A:ARG102 4.3 25.5 1.0
OE1 A:GLN99 4.3 27.4 1.0
O D:HOH366 4.4 32.3 1.0
CG D:TYR64 4.5 29.1 1.0
CB D:TYR64 4.5 29.8 1.0
NH2 D:ARG102 4.6 29.2 1.0
NE2 A:GLN99 4.6 31.6 1.0
NH2 A:ARG102 4.6 29.9 1.0
CD D:ARG102 4.6 28.4 1.0
OE1 D:GLN99 4.6 32.5 1.0
NH1 D:ARG102 4.6 30.9 1.0
CD2 D:TYR64 4.7 32.1 1.0
CG A:TYR64 4.7 31.0 1.0
NH1 A:ARG102 4.8 29.1 1.0
CB A:TYR64 4.8 29.2 1.0
CD A:GLN99 4.9 23.2 1.0
CD2 A:TYR64 4.9 29.9 1.0
CD1 D:TYR64 4.9 31.0 1.0

Chlorine binding site 3 out of 8 in 8un3

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Chlorine binding site 3 out of 8 in the Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:44.8
occ:1.00
 O A:GLU63 3.0 30.0 1.0
N A:XOI201 3.0 31.3 1.0
NE A:ARG68 3.1 35.9 1.0
N A:GLU63 3.2 30.1 1.0
H29 A:XOI201 3.3 36.0 1.0
C12 A:XOI201 3.4 27.7 1.0
CL A:XOI201 3.5 35.3 1.0
C7 A:XOI201 3.5 27.5 1.0
O A:GLN61 3.6 42.2 1.0
CG A:ARG68 3.7 36.7 1.0
C4 A:XOI201 3.7 29.2 1.0
NH2 A:ARG68 3.7 35.3 1.0
CZ A:ARG68 3.8 35.5 1.0
C A:GLU63 3.9 29.7 1.0
C3 A:XOI201 3.9 30.0 1.0
N6 A:XOI201 3.9 30.4 1.0
CD A:ARG68 3.9 34.6 1.0
CA A:GLU62 4.0 29.1 1.0
C11 A:XOI201 4.0 30.3 1.0
CA A:GLU63 4.0 30.1 1.0
C A:GLU62 4.1 33.3 1.0
C8 A:XOI201 4.3 24.8 1.0
CB A:GLU63 4.5 37.1 1.0
O A:XOI201 4.5 29.1 1.0
C A:GLN61 4.5 38.8 1.0
C10 A:XOI201 4.7 29.1 1.0
N A:GLU62 4.7 37.4 1.0
C9 A:XOI201 4.8 23.3 1.0
H28 A:XOI201 4.8 36.0 1.0
H7 A:XOI201 4.9 29.4 1.0

Chlorine binding site 4 out of 8 in 8un3

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Chlorine binding site 4 out of 8 in the Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:41.7
occ:1.00
 O A:HOH323 2.4 47.2 1.0
NZ A:LYS42 3.1 41.7 1.0
CE A:LYS42 3.4 40.1 1.0
ND2 A:ASN26 3.9 42.2 1.0
CD A:LYS42 4.9 42.5 1.0

Chlorine binding site 5 out of 8 in 8un3

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Chlorine binding site 5 out of 8 in the Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:38.4
occ:1.00
 CL B:XOI201 0.0 38.4 1.0
C12 B:XOI201 1.7 29.7 1.0
C11 B:XOI201 2.7 33.2 1.0
C7 B:XOI201 2.7 27.4 1.0
O B:XOI201 2.8 36.3 1.0
C4 B:XOI201 3.0 29.1 1.0
O B:HOH325 3.2 34.8 1.0
NH2 B:ARG68 3.4 32.6 1.0
N B:XOI201 3.5 28.1 1.0
CE B:MET72 3.5 37.8 1.0
F B:XOI201 3.7 27.9 1.0
C5 B:XOI201 3.8 26.0 1.0
NE B:ARG68 3.9 31.8 1.0
SD B:MET72 3.9 42.1 1.0
C8 B:XOI201 4.0 30.5 1.0
CZ B:ARG68 4.0 34.7 1.0
C10 B:XOI201 4.0 30.1 1.0
C13 B:XOI201 4.1 36.9 1.0
C6 B:XOI201 4.2 31.5 1.0
CG2 B:THR58 4.3 29.0 1.0
CG B:MET72 4.3 30.4 1.0
H8 B:XOI201 4.3 43.9 1.0
CB B:THR58 4.4 30.0 1.0
C3 B:XOI201 4.4 26.0 1.0
H9 B:XOI201 4.4 43.9 1.0
C9 B:XOI201 4.5 27.2 1.0
F2 B:XOI201 4.6 33.6 1.0
C1 B:XOI201 4.7 26.6 1.0
H7 B:XOI201 4.8 36.2 1.0
C2 B:XOI201 5.0 32.6 1.0

Chlorine binding site 6 out of 8 in 8un3

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Chlorine binding site 6 out of 8 in the Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:31.6
occ:1.00
 CL C:XOI201 0.0 31.6 1.0
C12 C:XOI201 1.7 29.8 1.0
C11 C:XOI201 2.7 32.0 1.0
C7 C:XOI201 2.7 28.8 1.0
O C:XOI201 2.8 32.2 1.0
C4 C:XOI201 3.0 28.1 1.0
NH2 C:ARG68 3.4 32.1 1.0
F C:XOI201 3.5 30.5 1.0
N C:XOI201 3.5 31.2 1.0
O C:HOH344 3.5 30.3 1.0
CE C:MET72 3.6 28.9 1.0
C5 C:XOI201 3.8 25.4 1.0
C8 C:XOI201 4.0 24.5 1.0
C10 C:XOI201 4.0 30.3 1.0
C13 C:XOI201 4.0 29.4 1.0
NE C:ARG68 4.0 35.5 1.0
SD C:MET72 4.1 34.0 1.0
O C:HOH337 4.1 39.9 1.0
CZ C:ARG68 4.1 27.1 1.0
C6 C:XOI201 4.1 30.1 1.0
H8 C:XOI201 4.2 34.9 1.0
H9 C:XOI201 4.3 34.9 1.0
CB C:THR58 4.3 30.9 1.0
C3 C:XOI201 4.5 29.5 1.0
CG2 C:THR58 4.5 32.6 1.0
C9 C:XOI201 4.5 23.1 1.0
CG C:MET72 4.5 32.0 1.0
F2 C:XOI201 4.7 28.6 1.0
C1 C:XOI201 4.7 21.6 1.0
H7 C:XOI201 4.8 29.0 1.0
OG1 C:THR58 4.8 31.2 1.0
C2 C:XOI201 5.0 24.9 1.0

Chlorine binding site 7 out of 8 in 8un3

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Chlorine binding site 7 out of 8 in the Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl203

b:39.7
occ:1.00
 O C:HOH379 2.3 34.0 1.0
O B:HOH394 2.3 35.0 1.0
NE B:ARG102 4.1 24.8 1.0
NE C:ARG102 4.1 26.8 1.0
CZ B:ARG102 4.1 28.9 1.0
CZ C:ARG102 4.2 29.4 1.0
OE1 C:GLN99 4.2 29.4 1.0
CG C:TYR64 4.3 30.5 1.0
O C:HOH363 4.3 35.0 1.0
NH2 C:ARG102 4.3 26.3 1.0
CB C:TYR64 4.3 26.5 1.0
CD B:ARG102 4.4 25.7 1.0
NH1 B:ARG102 4.4 32.1 1.0
O C:HOH386 4.4 39.7 1.0
NH2 B:ARG102 4.5 32.8 1.0
O B:HOH397 4.5 33.5 1.0
CD2 C:TYR64 4.5 30.0 1.0
OE1 B:GLN99 4.5 35.5 1.0
CD C:ARG102 4.6 27.6 1.0
CD1 C:TYR64 4.6 25.4 1.0
NH1 C:ARG102 4.7 30.3 1.0
NE2 C:GLN99 4.8 26.9 1.0
CG B:TYR64 4.8 28.5 1.0
CB B:TYR64 4.9 29.0 1.0
CD C:GLN99 4.9 24.6 1.0
NE2 B:GLN99 4.9 38.2 1.0
CD2 B:TYR64 4.9 30.1 1.0

Chlorine binding site 8 out of 8 in 8un3

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Chlorine binding site 8 out of 8 in the Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Kras-G13D-Gdp in Complex with CPD5 (1-((S)-10-(6-Amino-4-Methyl-3- (Trifluoromethyl)Pyridin-2-Yl)-11-Chloro-7-(((2S,4R)-4-Fluoro-1- Methylpyrrolidin-2-Yl)Methoxy)-3,4,13,13A-Tetrahydropyrazino[2',1':3, 4][1,4]Oxazepino[5,6,7-De]Quinazolin-2(1H)-Yl)Prop-2-En-1-One) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:36.5
occ:1.00
 CL D:XOI201 0.0 36.5 1.0
C12 D:XOI201 1.7 32.5 1.0
C11 D:XOI201 2.7 33.0 1.0
C7 D:XOI201 2.7 28.8 1.0
O D:XOI201 2.8 35.9 1.0
C4 D:XOI201 3.0 28.4 1.0
O D:HOH315 3.1 35.1 1.0
NH2 D:ARG68 3.3 34.3 1.0
N D:XOI201 3.4 29.8 1.0
F D:XOI201 3.7 29.3 1.0
C5 D:XOI201 3.8 27.6 1.0
SD D:MET72 3.9 40.3 1.0
NE D:ARG68 3.9 37.6 1.0
CZ D:ARG68 3.9 34.9 1.0
C8 D:XOI201 4.0 28.6 1.0
CE D:MET72 4.0 32.0 1.0
C10 D:XOI201 4.0 29.5 1.0
C13 D:XOI201 4.1 36.9 1.0
C6 D:XOI201 4.2 30.2 1.0
H8 D:XOI201 4.3 43.9 1.0
CB D:THR58 4.3 34.0 1.0
H9 D:XOI201 4.4 43.9 1.0
CG2 D:THR58 4.4 29.1 1.0
CG D:MET72 4.4 31.4 1.0
C3 D:XOI201 4.4 28.3 1.0
C9 D:XOI201 4.5 28.5 1.0
F2 D:XOI201 4.7 31.2 1.0
C1 D:XOI201 4.8 27.5 1.0
H7 D:XOI201 4.8 34.0 1.0
OG1 D:THR58 5.0 30.9 1.0

Reference:

C.Nilewski, M.H.Ultsch. N/A N/A.
Page generated: Sun Jul 13 14:57:00 2025

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