3BDD

crystal structure of a putative multiple antibiotic-resistance repressor (ssu05_1136) from streptococcus suis 89/1591 at 2.20 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 164
  • Norm. En. per Res.: -4.7335
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-55.357	-55.9418	-641.602	-752.9007	167	27	31	28132	8	51	50
A-C	0.0	1.012	-0.9653	0.0466	12	0	0	149	0	5	6
A-D	-18.431	-14.5349	-52.8177	-85.7836	37	1	1	2376	1	13	11
B-C	0.0	-14.1293	-12.0401	-26.1694	19	0	1	741	0	13	7
B-D	0.0	0.0	-0.0744	-0.0744	5	0	0	15	0	3	3
C-D	-42.9	-80.3023	-653.088	-776.2903	164	31	31	28602	10	55	48

Interface residues

• A-B: ALA104A, ALA104B, ALA108A, ALA108B, ALA127A, ALA127B, ALA14A, ALA14B, ALA60A, ALA60B, ARG10A, ARG10B, ARG32A, ARG32B, ARG53A, ARG53B, ARG63A, ARG63B, ARG95B, ASN114A, ASN114B, ASN138A, ASN138B, ASN20B, ASP130A, ASP130B, ASP15A, ASP15B, ASP57B, ASP6A, ASP6B, GLN107A, GLN107B, GLN115A, GLN115B, GLN124A, GLN124B, GLN137A, GLN137B, GLN25A, GLN25B, GLN2A, GLN2B, GLN37A, GLN37B, GLN51A, GLN51B, GLN55A, GLN55B, GLU120A, GLU120B, GLU121A, GLU121B, GLU123A, GLU123B, GLU16A, GLU16B, GLU3A, GLU3B, GLU52A, GLU52B, GLU5A, GLU5B, GLY135A, GLY135B, HIS105A, HIS105B, HIS106A, HIS106B, HIS64A, HIS64B, ILE109A, ILE109B, ILE116A, ILE116B, ILE134A, ILE134B, ILE141A, ILE141B, ILE18A, ILE18B, ILE35A, ILE35B, ILE56A, ILE56B, ILE99A, ILE99B, LEU117A, LEU117B, LEU11A, LEU11B, LEU126A, LEU126B, LEU129A, LEU129B, LEU132A, LEU132B, LEU133A, LEU133B, LEU136A, LEU136B, LEU139A, LEU139B, LEU21A, LEU21B, LEU26A, LEU26B, LEU30A, LEU30B, LEU40B, LEU50A, LEU50B, LEU54A, LEU54B, LEU7A, LEU7B, LEU8A, LEU8B, LEU98A, LEU98B, LYS110A, LYS110B, LYS12A, LYS12B, LYS131A, LYS131B, LYS24B, LYS41A, LYS41B, PHE125A, PHE125B, PHE22A, PHE22B, PRO140A, PRO140B, SER112A, SER112B, SER122A, SER122B, SER19A, SER19B, SER29A, SER29B, SER34A, SER34B, THR111A, THR111B, THR118A, THR118B, THR128A, THR128B, THR17A, THR17B, THR31A, THR31B, THR38A, THR38B, TYR33A, TYR33B, TYR9A, TYR9B, VAL119A, VAL119B, VAL13A, VAL13B, VAL61A, VAL61B
• A-C: ASN20A, GLN2C, GLN93A, GLU23A, GLU3C, GLU70A, GLY27A, LEU67A, LYS131C, LYS24A, SER71A, TYR73A
• A-D: ARG32A, ARG63A, ASN114D, ASN20A, GLN107D, GLN115D, GLN124D, GLN25A, GLU120D, GLU121D, GLU123D, GLU16A, GLU23A, GLU70A, GLY27A, HIS105A, HIS106A, HIS64A, ILE109A, ILE116D, ILE28A, LEU117D, LEU21A, LEU26A, LEU67A, LYS24A, LYS66A, PHE22A, SER103A, SER112D, SER122D, SER19A, SER29A, SER71A, THR111D, THR118D, VAL119D
• B-C: ALA127C, ALA59B, ALA60B, ARG58B, ARG63B, ASP57B, GLN124C, GLU120C, GLU121C, GLU123C, ILE141B, LEU67B, LYS131C, LYS66B, PHE125C, PRO140C, THR128C, THR62B, VAL119C
• B-D: ALA108D, GLN115D, GLU120D, ILE141B, LYS12B
• C-D: ALA104C, ALA104D, ALA108C, ALA108D, ALA127C, ALA127D, ALA14C, ALA14D, ALA60C, ALA60D, ARG10C, ARG10D, ARG32C, ARG32D, ARG53C, ARG53D, ASN114C, ASN114D, ASN138C, ASN138D, ASN20C, ASN20D, ASP130C, ASP130D, ASP15C, ASP15D, ASP57C, ASP57D, ASP6C, ASP6D, GLN107C, GLN107D, GLN115C, GLN115D, GLN124C, GLN124D, GLN137C, GLN137D, GLN25C, GLN25D, GLN2C, GLN2D, GLN37C, GLN37D, GLN51C, GLN51D, GLN55C, GLN55D, GLU120C, GLU120D, GLU121C, GLU121D, GLU123C, GLU123D, GLU16C, GLU16D, GLU23D, GLU3C, GLU3D, GLU52C, GLU5C, GLU5D, GLY135C, GLY135D, HIS105C, HIS105D, HIS106C, HIS64C, HIS64D, ILE109C, ILE109D, ILE116C, ILE116D, ILE134C, ILE134D, ILE141C, ILE141D, ILE18C, ILE18D, ILE35C, ILE35D, ILE56C, ILE56D, ILE99C, ILE99D, LEU117C, LEU117D, LEU11C, LEU11D, LEU126C, LEU126D, LEU129C, LEU129D, LEU132C, LEU132D, LEU133C, LEU133D, LEU136C, LEU136D, LEU139C, LEU139D, LEU21C, LEU21D, LEU26C, LEU26D, LEU30C, LEU30D, LEU36D, LEU50C, LEU50D, LEU54C, LEU54D, LEU7C, LEU7D, LEU8C, LEU8D, LEU98C, LEU98D, LYS110C, LYS110D, LYS12C, LYS12D, LYS131C, LYS131D, LYS24C, LYS41C, PHE125C, PHE125D, PHE22C, PHE22D, PRO140C, PRO140D, SER112C, SER112D, SER122C, SER122D, SER19C, SER19D, SER29C, SER29D, SER34C, SER34D, THR111C, THR111D, THR118C, THR118D, THR128C, THR128D, THR17C, THR17D, THR31C, THR31D, THR38C, THR38D, TYR33C, TYR33D, TYR9C, TYR9D, VAL119C, VAL119D, VAL13C, VAL13D, VAL61C, VAL61D