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Table 1 TIM structures and subunit interfaces used in this study.

From: Structural analysis on mutation residues and interfacial water molecules for human TIM disease understanding

Domain

PDB

Organism

Resolution (Ã…)

#Water

#Atoms

Wetness

rWBL

gini

Eukarya

2JK2

H. sapiens

1.70

25

546

0.046

1.282

0.684

 

1R2R

O. cuniculus

1.50

30

563

0.053

1.140

0.681

 

1TPH

G. gallus

1.80

23

517

0.044

1.270

0.724

 

2I9E

T. molitor

2.00

17

498

0.034

0.894

0.687

 

1MO0

C. elegans

1.70

29

530

0.055

1.063

0.620

 

1YPI

S. cerevisiae

1.90

22

503

0.044

1.304

0.649

 

1TPF

T. brucei

1.80

22

479

0.046

1.034

0.633

 

1TCD

T. cruzi

1.83

19

464

0.041

1.004

0.655

 

1AMK

L. mexicana

1.83

23

483

0.048

1.017

0.630

 

1M6J

E. histolytica

1.50

23

490

0.047

1.159

0.631

 

1YDV

P. falciparum

2.20

28

540

0.052

1.049

0.515

Bacteria

1TRE

E. coli

2.60

12

491

0.024

1.293

0.671

 

1AW2

M. marina

2.65

17

478

0.036

1.032

0.709

 

1B9B

T. maritima

2.85

11

502

0.022

1.162

0.680

 

3GVG

M. tuberculosis

1.55

41

587

0.070

1.132

0.594

 

3KXQ

B. henselae

1.60

46

600

0.077

1.121

0.502

 

2JGQ

H. pylori

2.30

31

555

0.056

1.146

0.525

Archaea

1HG3

P. woesei

2.70

18

458

0.039

1.103

0.611

 

2H6R

M. jannaschii

2.30

5

400

0.013

1.268

0.747

 

1W0M

T. tenax

2.50

21

487

0.043

1.075

0.516

  1. The TIM structures from 20 organisms used and their properties: resolution, number of interfacial waters, number of interfacial atoms, wetness, rWBL and gini coefficient (from column 4 to column 9).