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Table 3 Non-binding sites negative dataset, composed of random surface pockets that do not bind any ligand

From: Automated identification of protein-ligand interaction features using Inductive Logic Programming: a hexose binding case study

PDB ID Cavity center PDB ID Cavity center PDB ID Cavity center
1A04 1424, 2671 1A0I 1689, 799 1A22 2927
1AA7 579 1AF7 631, 1492 1AM2 1277
1ARO 154, 1663 1ATG 1751 1C3G 630, 888
1C3P 1089, 1576 1DXJ 867, 1498 1EVT 2149, 2229
1FI2 1493 1KLM 4373, 4113 1KWP 1212
1QZ7 3592, 2509 1YQZ 4458, 4269 1YVB 1546, 1814
1ZT9 1056, 1188 2A1K 2758, 3345 2AUP 2246
2BG9 14076, 8076 2C9Q 777 2CL3 123, 948
2DN2 749, 1006 2F1K 316, 642 2G50 26265, 31672
2G69 248, 378 2GRK 369, 380 2GSE 337, 10618
2GSH 6260     
  1. The table lists the protein’s PDB ID and the specified cavity center, computed as the centroid of the reported PDB atom numbers.
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