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Table 1 Hydrogen bonds between amino acid residues and NADPH for WT, S140A and S140T MabA proteins

From: Role of Serine140 in the mode of action of Mycobacterium tuberculosis β-ketoacyl-ACP Reductase (MabA)

 

Hydrogen bond

Hydrophobic contact

Protein

Residues

Atoms

Distance (Å)

Residues

 MtMabAWT

Gly22

O → O3B

2.9

Pro183

Asn24

OD1 → O3B

2.9

Val217

Ile27

N → O2N

2.9

 
 

ND2 → O2X

3.0

 

Arg47

NH2 → O1X

3.4

 
 

NE → O1X

2.90

 
 

N → O2X

3.1

 

Asp61

OD1 → N6A

3.2

 

Val62

N → N1A

3.0

 

Gly90

N → O4B

3.2

 

Asn88

O → O3D

3.2

 

Ile138

O → O3D

3.1

 

Gly139

N → O2D

3.3

 

Tyr153

OH → O2D

3.0

 

Ile186

N → O7N

3.0

 

Lys157

NZ → O3D

3.1

 

MtMabAS140A

Gly22

O → O3B

2.9

Asp61

Asn24

OD1 → O3B

2.9

Pro183

Ile27

N → O2N

3.0

Val217

Val62

N → N1A

2.9

 

Asn88

O → O3D

3.0

 

Gly90

N → O4B

3.1

 

Ile138

O → O3D

3.2

 

Gly139

N → O2D

3.4

 

Tyr153

OH → O2D

3.2

 

Ile186

N → O7N

2.9

 

MtMabAS140T

Gly22

O → O3B

3.0

Asp61

Asn24

OD1 → O3B

3.0

Arg25

Ile27

N → O2N

3.1

Ala89

Val62

N → N1A

2.8

Pro183

Asn88

O → O3D

3.0

Val217

 

OD1 → O3

3.3

 

Gly90

N → O4B

3.1

 

Ile138

O → O3D

3.4

 

Gly139

O → O2D

3.4

 

Tyr153

OH → O2D

3.0

 

Ile186

N → O7N

2.9

 

Tyr188

OG1 → N7N

2.8