PDB_Cov

Table 4. Covalent Binder Classification by Residue Target

	Target Residue	Covalent binders	Warheads	Adducts	Unique Protein Chains	PDBs	Covalent records
0	Cysteine	1009	66	1019	421	1344	2299
1	Serine	533	44	544	277	898	1481
2	Lysine	215	24	225	109	302	574
3	Threonine	108	13	110	29	193	821
4	Glutamic Acid	65	14	71	56	96	193
5	Aspartic Acid	56	10	61	35	71	169
6	Histidine	48	21	51	42	64	120
7	Tyrosine	26	5	26	22	36	49
8	Methionine	2	1	2	2	2	2
9	MultiResType	46^*	15	97	185	323	935
10	MultiResTrgt	81^*	24	141	132	237	732
11	Sum	2189	237	2347^*	1310	3566	7375

Note: This table shows binders' residue type selectivity

Table 5. Covalent Binder Classification by Residue Target (DrugBank)

	Target Residue	Covalent binders	Warheads	Adducts	Unique Protein Chains	PDBs	Covalent records
0	Cysteine	97	30	98	86	179	357
1	Serine	90	22	104	124	245	371
2	Lysine	17	4	24	36	46	135
3	Threonine	6	4	6	8	8	45
4	Glutamic Acid	5	3	7	7	8	13
5	Histidine	2	2	3	4	4	8
6	Aspartic Acid	1	1	2	2	3	13
7	MultiResType	17^*	11	35	138	232	708
8	MultiResTrgt	10^*	8	18	22	28	71
9	Sum	245	85	297^*	427	753	1721

Note: All binders in this table could be found in DrugBank

Table 6. Covalent Binder Classification by Residue Target (FDA approved)

	Target Residue	Covalent binders	Warheads	Adducts	Unique Protein Chains	PDBs	Covalent records
0	Serine	25	7	34	88	141	220
1	Cysteine	12	6	13	13	24	45
2	Lysine	2	1	2	2	2	3
3	Threonine	1	1	1	3	1	6
4	MultiResType	7^*	6	17	74	155	496
5	Sum	47	21	67^*	180	323	770

Note: All binders in this table could be found in DrugBank and got approved by FDA