Table 2 KIF14 conformation groups key features.

From: Structural basis of mechano-chemical coupling by the mitotic kinesin KIF14

 

Nucleotide

MT-bound

Selected NBP distances (Å)

Cβ-twist

Neck-linker

Model

PDB ID

K488-R604 (SW1-PL)

R406-T647 (KH0-SW2)

KS3 ∠ KS4

Semi-Closed

ADP

No

13.4

21.4

45.8

Undocked, mobile

K-ADP

4OZQ

Open

ADP

Yes

14.3

24.9

44.6

Undocked, mobile

MT-K743-ADP

6WWQ

ADP

Yes

14.8

23.7

42.8

Undocked, mobile

MT-K748-ADP

6WWM

ADP

Yes

14.4

24.5

46.0

Undocked, sideways

MT-K755-ADP

6WWJ

ADP

Yes

14.8

22.4

42.2

Undocked, sideways

MT-K772-ADP

6WWF

Apo

Yes

14.7

23.0

45.4

Not present

MT-K735-Apo

6WWT

Apo

Yes

14.1

23.6

42.7

Undocked, mobile

MT-K743-Apo

6WWP

Apo

Yes

14.6

24.9

44.4

Undocked, sideways

MT-K755-Apo

6WWI

Apo

Yes

15.2

25.4

41.8

Undocked, sideways

MT-K772-Apo

6WWE

 

Avg

14.6

24.0

43.7

   
 

sd

0.3

1.1

1.6

   

Open*

AMP-PNP

Yes

14.2

20.9

44.0

Not present

MT-K735-ANP

6WWV

AMP-PNP

Yes

14.3

24.2

45.6

Undocked, mobile

MT-K743-ANP-O

6WWS

AMP-PNP

Yes

14.3

24.4

44.1

Undocked, backwards

MT-K755-ANP-L

6WWL

AMP-PNP

Yes

14.0

22.2

43.3

Undocked, backwards

MT-K772-ANP-L

6WWH

ADP-AlFX

Yes

14.4

23.5

42.6

Not present

MT-K735-AAF

6WWU

ADP-AlFX

Yes

14.3

23.8

45.1

Undocked, mobile

MT-K743-AAF-O

6WWR

ADP-AlFX

Yes

14.8

22.8

44.0

Undocked, backwards

MT-K755-AAF-L

6WWK

ADP-AlFX

Yes

14.5

21.8

44.7

Undocked, backwards

MT-K772-AAF-L

6WWG

 

Avg

14.3

22.9

44.2

   
 

sd

0.2

1.2

1.0

   

Closed

AMP-PNP

Yes

12.7

12.0

36.4

Dockeda

MT-K743-ANP-C

7LVQ

AMP-PNP

Yes

12.8

11.2

37.2

Docked

MT-K748-ANP

6WWO

AMP-PNP

Yes

12.3

11.0

36.4

Docked, partially unzipped

MT-K755-ANP-T

6WWL

AMP-PNP

Yes

12.3

13.0

35.0

Docked, partially unzipped

MT-K772-ANP-T

6WWH

ADP-AlFX

Yes

13.1

11.2

33.7

Dockeda

MT-K743-AAF-C

7LVR

ADP-AlFX

Yes

12.4

11.6

35.4

Docked

MT-K748-AAF

6WWN

ADP-AlFX

Yes

11.9

11.9

37.0

Docked, partially unzipped

MT-K755-AAF-T

6WWK

ADP-AlFX

Yes

12.8

11.4

36.7

Docked, partially unzipped

MT-K772-AAF-T

6WWG

 

Avg

12.5

11.7

36.0

   
 

sd

0.4

0.6

1.2

   
  1. Selected nucleotide-binding pocket (NBP) distances correspond to the distance between Cα carbons in selected residues around the NBP. Central β-sheet twist (Cβ-twist) was measured as the angle between two vectors formed by the coordinates of the Cα carbons of KIF14 residues 475 and 480 in KS3 and residues 527 and 531 in KS4 (Fig. 3f). L and T indicate respectively the leading or the trailing head in microtubule two-heads-bound structures. Average (avg) and standard deviation (sd) values of the group of structures in the rows above are shown in bold.
  2. KH0 kinesin α-helix-0, KS3 kinesin β-strand 3, KS4 kinesins β-strand 4, PL P-loop, SW1 switch-1 loop, SW2 switch-2 loop.
  3. aConstruct K743 has the neck-linker truncated at position 743. A minority of the MT-K743-ANP/AAF data (~30%) is associated with a docked neck-linker configuration (C suffix) and the rest with an undocked (mobile) configuration (O suffix).
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