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Table 6 Additional dataset of complexes used in this work

From: Identification of hot-spot residues in protein-protein interactions by computational docking

Complexa

Resb

Receptor

Ligand

Receptor PDB

Res (Id)b

Ligand PDB

Res(Id)b

Complex typec

X-ray subunits

1CBW

2.60

Chymotrypsin

BPTI

4CHA

1.68

4PTI

1.50

U/U

1PM9

1.70

IL-6R

IL-6

1N26

2.40

1ALU

1.90

U/U

N/A

N/A

KDR

VEGF

2P2H

1.95

1VFP

2.50

U/U

N/A

N/A

trkC

Neurotrophin-3

1WWC

1.90

1NT3

2.40

U/U

2BTF

2.55

Rabbit actin

Bovine profilin I

1J6Z

1.54

1PNE

2.00

U/U

1DVF

1.90

E5.2

D1.3

-

-

1VFA

1.80

B/U

N/A

N/A

sHIR

Insulin

2DTG

3.80

2C8Q

1.95

U/U

NMR subunits

N/A

N/A

GPIIbIIIa

Kistrin

1TYE

2.90

1N4Y

NMR

U/U

N/A

N/A

bFGF

FGFR1b

4FGF

1.60

1WVZ

NMR

U/U

N/A

N/A

IGF-1R

IGF-1

1IGR

2.60

2GF1

NMR

U/U

N/A

N/A

IGF-1bp

IGF-1

1ZT3

1.80

2GF1

NMR

U/U

Homology-based modeled subunits

N/A

N/A

E9 DNase

Im2

1FSJ

1.80

1FR2d

(66%)

U/M

N/A

N/A

AChR

Erabutoxin

2BG9

4.00

5EBX

2.00

cryo- EM/U

N/A

N/A

AChR

NmmI

2BG9

4.00

1V6P

0.87

cryo- EM/U

1Z92

2.80

IL-2 receptor

IL-2 (human)

2B5Id

(100%)

1M47

1.99

M/U

N/A

N/A

IL-2 beta receptor(human)

IL-2 (murine)

2B5Id

(99%)

1M48d

(64%)

M/M

N/A

N/A

IL-2 alpha receptor(murine)

IL-2 (murine)

1NWVd

(22%)

1M48d

(64%)

M/M

N/A

N/A

IL-4/IL-4bp

GammaC

1IAR

2.30

2B5Id

(99%)

U/M

N/A

N/A

gp75

Neurotrophin-3

1LNLd

(18%)

1NT3

2.40

M/U

N/A

N/A

CD48

CD2

2DRUd

(39%)

1CDC

2.00

M/U

N/A

N/A

Calcineurin

CaM

1AUId

(59%)

1LKJ

NMR

M/U

2D9Q

2.80

hG-CSFbp

hG-CSF

2D9Qd

(99%)

1RHG

2.20

M/U

  1. a PDB Code; N/A, Not Available; b Resolution in Å or (Id): sequence identity with template in case of model; c B, Bound; U, Unbound; M, Model; cryo-EM, cryoelectron microscopy structures classified as modeled structures because of the low resolution compared to crystallographic or NMR structures, d PDB code of the template structure used for modelling