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Table 1 Performance of CoDock-Ligand in CASP15

From: CoDock-Ligand: combined template-based docking and CNN-based scoring in ligand binding prediction

CASP ID

Template

Oligomeric state

Ligand

Lowest RMSD

L_RMSD ≤ 2.0 Å

2.0 Å < L_RMSD ≤ 5.0 Å

L_RMSD > 5.0 Å

H1114a

5Y4N, 4UE3, 4KO2, 2FRV

A4B8C8

7/56

0.65(001/3NI) 1.20(009/F3S) 0.56(017/F3S) 0.69(025/F3S) 0.82(033/FCO) 1.28(041/MG)

3.87(049/MQ7)

 

R1117

2L1V, 3FU2

A1

1/1

1.17(001/PRF)

  

T1118b

5JJ5,6Z8A

A1

5/9

0.40(002/FE)

4.15(001/FE) 4.35(004/LIG) 4.73(005/LIG)

9.13(003/LIG)

T1124

7WDW

A2

2/4

1.92(001/SAH)

2.71(003/TYR)

 

R1126

5OB3, 7L0Z

A1

1/1

  

27.29(001/K)

T1127

3BJ7, 3BJ8, 2B4D, 2B4B, 2JEV, 2B58

A2

2/5

 

3.17(001/COA) 2.16(003/EPE)

 

H1135

6R16, 6R15, 6R2I

A9B3

2/12

0.08(004/K)

 

11.32(001/CL)

R1136

4KZD, 5OB3

A1

3/3

  

72.05(001/1TU) 24.27(002/J93) 64.57(003/K)

T1146

4Q5K, 4Q68

A1

1/1

0.58(001/NAG)

  

T1152

4B8V

A2

1/1

0.81(001/NAG)

  

T1158v1

5UJA, 6D3R, 6PZ9, 6PZI, 6UY0

A1

1/1

1.85(001/XPG)

  

T1158v2

5UJA, 6D3R, 6PZ9, 6PZI, 6UY0

A1

1/1

 

3.90(001/P2E)

 

T1158v3

5UJA, 6D3R, 6PZ9, 6PZI, 6UY0

A1

1/1

1.66(001/XH0)

  

T1158v4

5UJA, 6D3R, 6PZ9, 6PZI, 6UY0

A1

4/4

0.79(001/ATP) 1.24(002/ATP) 0.14(003/2MG) 0.65(004/2MG)

  

T1170

6CHS

A6

3/9

1.20(001/ADP) 0.77(007/MG)

2.45(004/AGS)

 

H1171

6CHS

A6B1

3/9

1.52(001/ADP) 1.57(007/MG)

2.48(004/AGS)

 

H1172

6CHS

A6B2

3/9

1.06(007/MG)

2.09(001/ADP) 2.38(004/AGS)

 

T1181

5W6H, 4OJ6, 4OJ5, 4OJP, 4OJO

A3

6/8

 

4.45(006/ZN)

10.63(001/OAA) 16.33(002/OAA) 36.99(005/ZN) 5.69(007/ZN) 27.23(008/CA)

T1186

1FCM, 4R1G

A1

1/1

1.05(001/LIG)

  

T1187

–

A2

1/2

  

14.36(001/NAG)

T1188

2YBT, 6BT9

A1

5/5

 

3.96(001/DW0) 2.05(004/CD)

6.02(002/DW0) 11.01(003/CD) 15.42(005/CO)

  1. aIn these targets, our group achieved successful results in ligand binding predictions
  2. bIn these targets, our group achieved partially successful results in ligand binding predictions