Binding characteristics of synthesized compounds (8a–8g and 9a–9d) and references against DNA gyrase A protein.

Com.	BE	Binding interaction	Bond length(Å)	Bond angle (°)	Bond type
Streptomycin	−6.9	Arg 139 CG⋯HN	2.2	124.4	H–don
		Leu 135 CD⋯HN	2.7	125.7	H–don
		His 132 CB⋯OH	2.5	125.0	H–acc
		Asp 53 CG⋯OC	3.4	116.7	H–acc
		Asp 53 OC⋯OC	2.9	118.9	H–acc
		Asp 58 OD⋯OH	2.0	118.6	H–acc
		Asp 58 OD⋯HN	2.5	116.4	H–don
		His 132 ND⋯OC	2.8	126.2	H–acc
		His 132 ND⋯OC	2.7	120.0	H–acc
		His 132 OC⋯OH	2.5	119.8	H–acc
Norfloxacin	–7.3.	Leu 264 CA⋯OC	2.0	114.7	H–acc
8a	–6.0	Tyr 266 CZ⋯HN	2.2	119.9	H–don
		Thr 171 CA⋯HO	2.2	114.6	H–don
		Asn 169 OC⋯HN	2.5	120.7	H–don
8b	−8.2	Ser 111 CA⋯ OC	2.3	122.5	H–acc
		Arg 91 CZ⋯ OS	2.2	119.0	H–acc
		Asn 169 OC⋯HN	2.2	118.4	H–acc
8c	−8.1	Arg 47 CZ⋯OS	2.3	119.4	H–acc
		Arg 47 NE⋯OC	2.2	116.2	H–acc
		Arg 47 NE⋯OC	2.6	118.9	H–acc
		Arg 47 CZ⋯OC	2.3	120.4	H–acc
		Tyr 77 CA⋯HO	2.6	118.7	H–don
		Tyr 77 CA⋯HN	2.2	122.0	H–don
8d	−8.0	Gln 94 CD⋯OH	2.2	124.1	H–acc
		Gln 94 CD⋯OC	2.0	118.4	H–acc
		Arg 91 CZ⋯OC	2.6	119.1	H–acc
8e	−8.5	Arg 91 CZ⋯ON	2.3	121.8	H–acc
		Gln 267 CA⋯ON	2.7	114.3	H–acc
		Gin 94 CD⋯OC	2.2	118.4	H–acc
		Asp115 CA⋯HO	2.3	124.2	H–don
		Ser 111 CG⋯HO	2.4	122.5	H–don
		Ser 111 OC⋯HN	2.1	123.1	H–don
		Asg 269 HD⋯OS	2.7	120.3	H–acc
8f	−8.4	Arg 91 CZ⋯OC	2.9	120.8	H–acc
		Arg 91 CZ⋯OC	2.3	119.0	H–acc
		Asn 269 CG⋯OS	2.4	122.3	H–acc
8g	−8.8	Arg 91 CZ⋯OS	2.1	119.0	H–acc
		Arg 91 CZ⋯OS	2.8	121.8	H–acc
		Gln 94 CD⋯OC	2.3	118.4	H–acc
		Ser 111 HN⋯OC	2.2	116.0	H–acc
		Asp 115 CA⋯HO	1.7	120.6	H–don
9a	−8.3	Gly 114 CA⋯OS	2.8	112.3	H–acc
		Ser 111 OC⋯HO	2.3	120.4	H–don
		Ser 111 HN⋯OC	2.4	122.5	H–acc
		Gln 94 CD⋯OC	2.3	118.4	H–acc
9b	−6.5	Met 301 CA⋯OC	2.1	115.2	H–acc
		His 262 CA⋯HN	2.1	121.2	H–don
		Leu 264 CA⋯OC	2.1	114.7	H–acc
		Thr 219 CA⋯HO	2.0	119.9	H–don
9c	−6.5	Met 301 HN⋯OC	2.3	115.2	H–acc
		Leu 264 HN⋯OC	2.1	114.7	H–acc
9d	−6.6	Arg 91 CZ⋯OC	2.5	119.0	H–acc
		Arg 91 CZ⋯OC	2.7	119.0	H–acc
		Gln 94 NE⋯OC	2.1	118.4	H–acc
		Ser 111 CA⋯OC	2.3	116.2	H–acc
		Ser 111 CA⋯HO	2.2	120.4	H–don