3QP5

crystal structure of cvir bound to antagonist chlorolactone (cl)

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 49
  • Norm. En. per Res.: -3.4797
• 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	-6.4672	67.8064	-367.902	-306.5628	214	63	12	19054	0	50	55
A-C	-24.9946	-21.1373	-32.3466	-78.4785	58	41	0	3709	0	17	9
A-D	-15.3241	24.3254	-30.8732	-21.8719	37	14	0	1859	0	9	14
B-C	0.0	0.0	-0.2714	-0.2714	7	0	0	74	0	2	2
B-D	-32.7332	-88.796	-48.9765	-170.5056	49	23	0	3533	5	12	13
C-D	-13.9307	92.6937	10.5253	89.2883	203	114	10	19531	0	47	60

Interface residues

• A-B: ALA143A, ALA143B, ALA144A, ALA144B, ALA14A, ALA14B, ALA181A, ALA181B, ALA186A, ALA186B, ALA18A, ALA18B, ALA191A, ALA242A, ALA242B, ALA248A, ALA248B, ALA31A, ALA31B, ALA42A, ALA42B, ALA59A, ALA59B, ALA94B, ALA9A, ARG10A, ARG147A, ARG147B, ARG184A, ARG184B, ARG211A, ARG238A, ARG238B, ARG245A, ARG245B, ARG71A, ARG71B, ARG74A, ARG74B, ASN148A, ASN148B, ASN172A, ASN172B, ASN187A, ASN187B, ASN195A, ASN241A, ASN241B, ASN243A, ASN243B, ASN244A, ASN244B, ASN38A, ASN38B, ASN77A, ASN77B, ASN92B, ASP45B, ASP83A, ASP83B, ASP86A, ASP86B, CYS173A, CYS173B, GLN180A, GLN180B, GLN20A, GLN20B, GLN21A, GLN21B, GLN87A, GLN87B, GLU146A, GLU146B, GLU26A, GLU26B, GLU35A, GLU35B, GLU37A, GLU37B, GLU39A, GLU39B, GLU54A, GLU73A, GLU73B, GLU91B, GLY15A, GLY15B, GLY212A, GLY212B, GLY252A, GLY252B, GLY32A, GLY32B, HIS177A, HIS177B, HIS179A, HIS179B, HIS247A, HIS247B, HIS254A, HIS254B, HIS29A, HIS29B, HIS33A, HIS33B, ILE150A, ILE183A, ILE183B, ILE237A, ILE249A, ILE249B, ILE28A, ILE28B, ILE34A, ILE34B, LEU12A, LEU16A, LEU16B, LEU174A, LEU174B, LEU188A, LEU188B, LEU240A, LEU240B, LEU24A, LEU24B, LEU251A, LEU251B, LEU255A, LEU255B, LEU25A, LEU25B, LEU40A, LEU40B, LEU56A, LEU56B, LEU57A, LEU57B, LEU58A, LEU58B, LEU60A, LEU60B, LEU72A, LEU72B, LEU76A, LEU76B, LEU85A, LEU85B, LYS239A, LYS239B, LYS41A, LYS41B, LYS90A, LYS90B, MET196A, MET253A, MET253B, MET257A, MET257B, MET30A, MET30B, MET89A, MET89B, PRO11A, PRO13A, PRO176A, PRO176B, PRO189A, PRO189B, PRO190A, PRO193A, PRO197B, PRO258A, PRO258B, PRO81A, PRO81B, SER145A, SER145B, SER192A, SER194A, SER210A, SER210B, SER79A, SER79B, SER82A, SER82B, THR175A, THR175B, THR17A, THR17B, THR23A, THR246A, THR246B, THR36A, THR36B, TRP22A, TRP22B, TRP27A, TRP27B, TRP84B, TYR80A, TYR80B, TYR88A, TYR88B, TYR93B, VAL185A, VAL185B, VAL250A, VAL250B, VAL75A, VAL75B, VAL78A, VAL78B
• A-C: ALA191A, ALA42C, ALA51C, ARG147A, ARG159C, ARG163C, ARG201A, ARG62A, ARG71A, ASN148A, ASN149A, ASN164C, ASN195A, ASN38C, ASN64A, ASN65A, ASP45C, GLN200A, GLN46C, GLN50C, GLN70A, GLN95A, GLU112C, GLU146A, GLU160C, GLU202A, GLU37C, GLU39C, GLU54C, GLU73A, LEU167C, LEU188A, LEU198A, LEU40C, LEU44C, LEU48C, LEU63A, LYS41C, MET196A, PHE43C, PRO189A, PRO190A, PRO193A, PRO197A, PRO52C, PRO81C, SER192A, SER194A, SER199A, SER49C, SER53C, SER79C, SER82C, THR36C, TRP27C, TYR80C, VAL47C, VAL78C
• A-D: ALA118A, ALA121A, ALA234D, ALA242D, ALA94A, ARG101A, ARG227D, ARG238D, ARG245D, ARG71A, ASN149A, ASN235D, ASN241D, ASN243D, ASN244D, ASN64A, ASN65A, ASN67A, ASP97A, GLN66A, GLN68A, GLN70A, GLN95A, GLU122A, GLU123A, GLY120A, HIS103A, HIS247D, HIS96A, ILE237D, ILE69A, LEU100A, LEU63A, LYS119A, LYS239D, PHE231D, PRO98A
• B-C: ALA42C, GLN46C, GLU39C, MET257B, MET30C, PRO258B, THR36C
• B-D: ALA144D, ALA219B, ALA256B, ARG101D, ARG10D, ARG114D, ARG117D, ARG147D, ARG201B, ARG211B, ASN148D, ASN149D, ASN64D, ASN65D, ASN67D, ASP204B, ASP223B, GLN106D, GLN200B, GLN66D, GLN68D, GLU113D, GLU146D, GLU217B, GLY105D, GLY107D, HIS103D, HIS207B, ILE102D, ILE205B, ILE218B, ILE221B, ILE224B, LEU104D, LEU12D, LEU222B, LEU255B, LEU63D, LYS213B, MET257B, PRO108D, PRO11D, PRO258B, SER145D, SER225B, THR220B, TRP208B, TRP216B, TYR203B
• C-D: ALA143C, ALA143D, ALA144C, ALA144D, ALA14C, ALA14D, ALA181C, ALA181D, ALA186C, ALA186D, ALA18C, ALA18D, ALA242C, ALA242D, ALA248C, ALA248D, ALA256C, ALA31C, ALA31D, ALA42C, ALA59C, ALA59D, ALA94D, ARG10D, ARG147C, ARG147D, ARG184C, ARG184D, ARG211C, ARG245C, ARG245D, ARG62D, ARG71C, ARG71D, ARG74C, ARG74D, ASN148C, ASN148D, ASN172C, ASN172D, ASN187C, ASN187D, ASN241C, ASN241D, ASN243C, ASN243D, ASN244C, ASN244D, ASN38C, ASN38D, ASN77C, ASN77D, ASP83C, ASP83D, ASP86C, ASP86D, CYS173C, CYS173D, GLN180C, GLN180D, GLN20C, GLN20D, GLN21C, GLN21D, GLN87C, GLN87D, GLU146C, GLU146D, GLU26C, GLU26D, GLU35C, GLU35D, GLU37C, GLU37D, GLU39C, GLU39D, GLU73C, GLU73D, GLY15C, GLY15D, GLY212C, GLY212D, GLY252C, GLY252D, GLY32C, GLY32D, GLY61D, HIS177C, HIS177D, HIS179C, HIS179D, HIS247C, HIS247D, HIS254C, HIS254D, HIS29C, HIS29D, HIS33C, HIS33D, ILE150C, ILE150D, ILE183C, ILE183D, ILE249C, ILE249D, ILE28C, ILE28D, ILE34C, ILE34D, LEU12C, LEU12D, LEU16C, LEU16D, LEU174C, LEU174D, LEU188C, LEU188D, LEU198C, LEU240C, LEU240D, LEU24C, LEU24D, LEU251C, LEU251D, LEU255C, LEU255D, LEU25C, LEU25D, LEU44C, LEU57C, LEU57D, LEU58C, LEU58D, LEU60C, LEU60D, LEU72C, LEU72D, LEU76C, LEU76D, LEU85C, LEU85D, LYS239C, LYS239D, LYS41C, LYS41D, LYS90C, LYS90D, MET170C, MET170D, MET209C, MET253C, MET253D, MET257C, MET30C, MET30D, MET89C, MET89D, PRO11C, PRO11D, PRO13C, PRO13D, PRO176C, PRO176D, PRO197D, PRO258C, PRO81C, PRO81D, SER145C, SER145D, SER19C, SER19D, SER210C, SER210D, SER79C, SER79D, SER82C, SER82D, THR175C, THR175D, THR17C, THR23C, THR23D, THR246C, THR246D, THR36C, THR36D, TRP22C, TRP22D, TRP27C, TRP27D, TRP84C, TYR80C, TYR80D, TYR88C, TYR88D, VAL185C, VAL185D, VAL250C, VAL250D, VAL75C, VAL75D, VAL78C, VAL78D