Group:SMART:2010 Pingry SMART Team Models

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General design guidelines

Helix color (blue): [128,255,255]

Sheet color (red): [255,128,128]

Three residues (ARG, SER, ASN; residue numbers differ by structure) that bind cofactor:

CPK the sidechain, color backbone (dark blue) [128,128,255]

Contents 1 AdhD K249G/H255R double mutant and Self-assembly into hydrogels 2 PDB ID: 1a80, 2,5-diketo-d-gluconic acid reductase with NADPH (wild-type) 3 PDB ID: 1m9h, Mutant 2,5-diketo-d-gluconic acid reductase with NADH (mutant) 4 PDB ID: 1mi3, Xylose reductase with NAD+ 5 PDB ID: 1lwi, Rat liver 3-alpha-hydroxysteroid dihydrodiol dehydrogenase with NADP+ cofactor 6 PDB ID: 1afs, Rat liver 3-alpha-hydroxysteroid dihydrodiol dehydrogenase with cofactor and testosterone

AdhD K249G/H255R double mutant and Self-assembly into hydrogels

spinqualitylabelsall models AdhD K249G/H255R double mutant Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

Design script:

Select all

Backbone off

Wireframe off

Spacefill off

Cartoon off

Backbone 300

Color white

Select (253-260) or (230-241) or (190-198) or (157-165) or (131-144) or (98-112) or (68-78) or (40-53)

Color [128,255,255]

Select (118-122) or (149-153) or (174-177) or (201-205) or (244-249) or (22-25) or (57-61) or (86-91)

Color [255,128,128]

Select 249 and (sidechain or alpha)

Wireframe 250

Select 249 and sidechain

Color cpk

Select 249 and alpha

Color [0,0,255]

Select 255 and (sidechain or alpha)

Wireframe 250

Select 255 and sidechain

Color cpk

Select 255 and alpha

Color [0,0,255]

PDB ID: 1a80, 2,5-diketo-d-gluconic acid reductase with NADPH (wild-type)

spinqualitylabelsall models 1a80, 2,5-diketo-d-gluconic acid reductase with NADPH (wild-type) Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

PDB ID: 1m9h, Mutant 2,5-diketo-d-gluconic acid reductase with NADH (mutant)

spinqualitylabelsall models 1m9h, Mutant 2,5-diketo-d-gluconic acid reductase with NADH Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

PDB ID: 1mi3, Xylose reductase with NAD+

spinqualitylabelsall models 1mi3, Xylose reductase with NAD+ Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

Select all

Cartoon off

Spacefill off

Backbone 300

Color white

Select hetero and not water

Wireframe 250

Color cpk

Select 27-41 or 54-68 or 89-104 or 146-160 or 172-183 or 200-210 or 255-266 or 277-286

Color [128,255,255]

Select 20-22 or 45-47 or 77-82 or 108-113 or 163-169 or 189-193 or 213-217 or 270-271

Color [255,128,128]

Select 274-280

Color [255,255,0]

Select 225-229

Color [255,128,0]

select (275 or 276 or 280) and (sidechain or alpha)

wireframe 250

select (275 or 276 or 280) and (sidechain)

color cpk

select (275 or 276 or 280) and (alpha)

color [128,128,128]

select (274 or 227) and (sidechain or alpha)

wireframe 250

select (274 or 227) and (sidechain)

color cpk

PDB ID: 1lwi, Rat liver 3-alpha-hydroxysteroid dihydrodiol dehydrogenase with NADP+ cofactor

spinqualitylabelsall models 1lwi, Rat liver 3-alpha-hydroxysteroid dihydrodiol dehydrogenase with NADP+ cofactor Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

PDB ID: 1afs, Rat liver 3-alpha-hydroxysteroid dihydrodiol dehydrogenase with cofactor and testosterone

spinqualitylabelsall models 1afs, Rat liver 3-alpha-hydroxysteroid dihydrodiol dehydrogenase with cofactor and testosterone Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image