Table 5 Ligand binding site predictions of eight resistance proteins

RP1

1

0.09

4

3sfzA

ADP

115, 117–119, 121, 145, 146, 148-151

2

0.07

4

4m9sC

PEPTIDE

360, 363, 364, 371, 372, 375, 455, 456, 459

3

0.05

2

5aorB

MG

150, 216

4

0.04

2

3shfA

GBL

378, 379, 453, 460

5

0.02

1

5hhjA

GLY

271, 274

RP2

1

0.04

3

4hb4C

LMB

181, 188, 192, 195, 198, 201

2

0.04

3

3an2E

Nuc. Acid

828, 829, 830

3

0.03

2

2z4rA

MG

295, 365, 366

4

0.03

2

2a5yB

ATP

255, 258, 290–296, 397, 425, 429, 457, 458

5

0.03

2

4hazC

LBF

182, 189, 192, 201, 204

RP3

1

0.09

6

2a5yB

2S2

1366, 1368, 1388–1390, 1427, 1429, 1430, 1465–1467

2

0.09

6

3c6oB

ATP

621, 624, 671–677, 779, 806, 810, 837, 838, 841, 868

3

0.03

2

5d0fA

MTT

939, 942, 943, 946

4

0.02

1

2a5yC

MG

676, 748

5

0.02

1

N/A

N/A

884, 939

RP4

1

0.21

7

3sfzA

ADP

247, 249–251, 254, 282–288, 446, 447, 450, 556, 570

2

0.05

2

4m9zA

MG

287, 359, 360, 386

3

0.05

2

2qbyA

MG

287, 359, 447

4

0.03

1

N/A

N/A

844, 866, 870, 872, 874, 926, 933, 935, 941, 945, 947

5

0.02

1

N/A

N/A

621, 625, 628, 665, 669

RP5

1

0.07

5

1m7sA

HEM

1254, 1258

2

0.04

3

3cr3A

MG

638, 639

3

0.03

2

4rkuG

CLA

773, 776

4

0.03

2

4hzcG

MG

760, 762

5

0.02

1

N/A

N/A

1142, 1145, 1154, 1156, 1160, 1164–1168, 1173, 1176

RP6

1

0.08

4

3c6oB

2S2

849, 851, 911–913, 934, 936, 937, 977, 978, 979

2

0.06

3

2p1nB

CFA

728, 730, 764, 765, 766, 789, 790, 812–814

3

0.03

1

1vt4l

MG

208, 279

4

0.02

1

1koiA

NO

568, 571

5

0.02

1

3w3A

L07

704, 733, 769

RP7

1

0.10

5

1vt4I

MG

208, 279

2

0.08

5

2a5yB

ATP

168, 171, 203–209, 309, 336, 340, 367, 368, 371, 399,

3

0.06

4

3c6oB

2S2

811, 813, 848–850, 909, 911, 936, 937, 938

4

0.05

3

3ogkB

OGK

727, 763–765, 788, 790, 813, 848, 913, 935

5

0.05

3

2p1pB

IAC

911, 936–938, 977, 978, 997, 998, 999, 1029

RP8

1

0.23

11

4kxfK

ADP

136, 138, 153, 156–158, 189–194, 321, 329, 360, 361, 364

2

0.08

4

3u60E

MG

193, 270, 271, 361

3

0.04

2

3t6qA

MAN

616, 641

4

0.02

1

3w3nB

RX8

571, 573, 574, 597, 599, 623

5

0.02

1

3b2dA

MAN

662, 687