3QP8

crystal structure of cvir (chromobacterium violaceum 12472) ligand- binding domain bound to c10-hsl

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 119
  • Norm. En. per Res.: -3.1401
• 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	-56.9073	63.4366	-348.885	-342.3557	111	12	8	13369	0	29	42
A-C	0.0	0.0	-0.01	-0.01	5	0	0	10	0	0	0
A-D	-45.8931	6.9786	-109.286	-148.2005	80	11	0	4848	0	14	13
B-C	-14.7612	0.0	-50.3304	-65.0916	33	3	0	2360	0	0	0
B-D	0.0	-7.406	-22.2931	-29.6991	15	1	0	726	0	1	2
C-D	-44.4143	47.2699	-376.523	-373.6674	119	11	6	14115	3	29	39

Interface residues

• A-B: ALA143A, ALA143B, ALA144A, ALA144B, ALA14A, ALA14B, ALA181A, ALA181B, ALA18A, ALA18B, ALA31A, ALA31B, ALA42A, ALA9A, ALA9B, ARG10A, ARG10B, ARG147A, ARG147B, ARG184A, ARG184B, ASN148A, ASN148B, ASN172A, ASN172B, ASN187A, ASN187B, ASN46A, ASN8B, ASP146A, ASP146B, ASP45A, CYS173A, CYS173B, GLN180A, GLN180B, GLN20A, GLN20B, GLN21A, GLN21B, GLU26A, GLU26B, GLU35A, GLU35B, GLU37A, GLU39A, GLY15A, GLY15B, GLY32A, GLY32B, GLY38A, GLY4B, HIS177A, HIS177B, HIS179A, HIS179B, HIS29A, HIS29B, HIS33A, HIS33B, HIS6B, ILE185A, ILE28A, ILE28B, ILE34A, ILE34B, ILE47A, LEU12A, LEU12B, LEU16A, LEU16B, LEU174A, LEU174B, LEU24A, LEU24B, LEU25A, LEU25B, LEU40A, LEU44A, LYS41A, MET170A, MET170B, MET30A, MET30B, MET7B, PHE43A, PRO11A, PRO11B, PRO13A, PRO13B, PRO176A, PRO176B, SER145A, SER145B, SER19A, SER5B, THR175A, THR175B, THR17A, THR17B, THR23A, THR23B, THR36A, THR36B, TRP22A, TRP22B, TRP27A, TRP27B, VAL150B, VAL183A, VAL183B
• A-C: ALA14C, GLN21C, GLU35A, LEU12C, THR36A
• A-D: ALA166D, ALA182A, ALA186A, ALA18D, ALA42D, ALA51D, ALA94A, ARG163D, ARG184A, ARG55D, ARG62A, ARG71A, ASN164D, ASN187A, ASN46D, ASN77A, ASN77D, ASN86A, ASN92A, ASP45D, ASP54D, ASP83D, GLN20D, GLN21D, GLN50D, GLN70A, GLN87A, GLN90A, GLN95A, GLU160D, GLU26D, GLU35A, GLU37A, GLU39A, GLU73A, GLU91A, GLY134D, GLY162D, GLY38A, ILE185A, ILE47D, ILE56D, ILE57A, LEU167D, LEU16D, LEU48D, LEU58A, LEU60A, LEU76A, LEU85A, LYS159D, LYS41A, LYS41D, LYS74A, MET170D, MET30D, MET72A, PHE43D, PHE93A, PRO52D, PRO81D, SER19D, SER49D, SER53D, SER79D, SER82A, SER82D, SER89A, THR17D, THR23D, THR36A, TRP22D, TRP27D, TRP84D, TYR80D, TYR88A, VAL183A, VAL59A, VAL75A, VAL78D
• B-C: ALA144B, ALA14C, ALA165C, ALA166C, ALA18C, ARG147B, ARG62B, ASN148B, ASN149B, ASN164C, ASN64B, ASN65B, ASN67B, ASN8B, ASP146B, GLN20C, GLN21C, GLN66B, GLN68B, GLN70B, GLY15C, GLY4B, LEU12C, LEU167C, LEU16C, LEU63B, PRO11C, PRO13C, SER145B, SER19C, SER5B, THR17C, VAL150B
• B-D: ALA18D, ARG147B, ARG62B, ASN148B, ASN149B, ASP146B, GLN21D, GLU26D, LEU25D, SER19D, THR17D, THR23D, TRP22D, VAL150B, VAL183B
• C-D: ALA143C, ALA143D, ALA144C, ALA144D, ALA14C, ALA14D, ALA181C, ALA181D, ALA18C, ALA18D, ALA31C, ALA31D, ALA42C, ALA42D, ALA9C, ALA9D, ARG10C, ARG10D, ARG147C, ARG147D, ARG184C, ARG184D, ASN148C, ASN148D, ASN172C, ASN172D, ASN187C, ASN187D, ASN46C, ASN8C, ASN8D, ASP146C, ASP146D, ASP45C, CYS173C, CYS173D, GLN180C, GLN180D, GLN20C, GLN20D, GLN21C, GLN21D, GLU26C, GLU26D, GLU35C, GLU35D, GLU37C, GLU37D, GLU39C, GLU39D, GLY15C, GLY15D, GLY32C, GLY32D, GLY38C, GLY4D, HIS177C, HIS177D, HIS179C, HIS179D, HIS29C, HIS29D, HIS33C, HIS33D, HIS6D, ILE185D, ILE28C, ILE28D, ILE34C, ILE34D, ILE47C, LEU12C, LEU12D, LEU16C, LEU16D, LEU174C, LEU174D, LEU24C, LEU24D, LEU25C, LEU25D, LEU40C, LEU44C, LYS41C, MET170C, MET170D, MET30C, MET30D, MET7C, MET7D, PHE43C, PHE43D, PRO11C, PRO11D, PRO13C, PRO13D, PRO176C, PRO176D, SER145C, SER145D, SER19C, SER19D, SER5D, THR175C, THR175D, THR17C, THR17D, THR23C, THR23D, THR36C, THR36D, TRP22C, TRP22D, TRP27C, TRP27D, VAL150C, VAL150D, VAL183C, VAL183D