3QNQ

crystal structure of the transporter chbc, the iic component from the n,n'-diacetylchitobiose-specific phosphotransferase system

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 46
  • Norm. En. per Res.: -3.4729
• 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	-37.8261	0.0	-630.247	-668.0731	271	33	54	30549	0	8	12
A-C	-9.576	27.9093	-31.3246	-12.9913	41	4	1	2014	0	4	4
A-D	-25.9991	0.0	-131.677	-157.6761	53	8	6	4809	0	5	2
B-C	-32.0166	0.0	-127.738	-159.7546	46	8	6	4538	0	4	2
B-D	0.0	5.8969	-23.6302	-17.7333	23	1	3	1434	0	2	3
C-D	-35.2683	0.0	-625.61	-660.8783	268	42	54	30434	0	9	12

Interface residues

• A-B: ALA100A, ALA100B, ALA102A, ALA102B, ALA105A, ALA105B, ALA114A, ALA114B, ALA120A, ALA138A, ALA138B, ALA139A, ALA139B, ALA179A, ALA179B, ALA185A, ALA185B, ALA186A, ALA186B, ALA252A, ALA252B, ALA326A, ALA326B, ALA68A, ALA68B, ALA75A, ALA75B, ALA84A, ALA84B, ARG182A, ARG182B, ARG201A, ARG201B, ARG26A, ARG26B, ARG91A, ARG91B, ASN331A, ASN333A, ASN333B, ASN64A, ASN66A, ASN66B, ASN78A, ASN78B, ASP133A, ASP133B, ASP27A, ASP27B, ASP99A, ASP99B, GLN118A, GLN118B, GLU174A, GLU174B, GLU205A, GLU205B, GLU334A, GLU334B, GLU94A, GLU94B, GLY104A, GLY104B, GLY134A, GLY134B, GLY142B, GLY190A, GLY190B, GLY210A, GLY28A, GLY28B, GLY328B, GLY39A, GLY39B, GLY62A, GLY62B, GLY70A, GLY70B, GLY87A, GLY87B, HIS206A, HIS206B, HIS250A, HIS250B, ILE130A, ILE130B, ILE136A, ILE136B, ILE170A, ILE170B, ILE188A, ILE188B, ILE192A, ILE192B, ILE199A, ILE199B, ILE332A, ILE332B, ILE37A, ILE37B, ILE38A, ILE38B, ILE41A, ILE41B, ILE45A, ILE45B, ILE79A, ILE79B, ILE83A, ILE83B, ILE88A, ILE88B, LEU101A, LEU101B, LEU106A, LEU106B, LEU108A, LEU108B, LEU112A, LEU112B, LEU113A, LEU113B, LEU131A, LEU131B, LEU140A, LEU140B, LEU187A, LEU187B, LEU202A, LEU202B, LEU31A, LEU31B, LEU36A, LEU36B, LEU43B, LEU69A, LEU69B, LEU82A, LEU82B, LYS171A, LYS171B, MET141A, MET141B, MET172A, MET172B, MET335A, MET335B, MET33A, MET33B, MET80A, MET80B, PHE111A, PHE111B, PHE117A, PHE117B, PHE184A, PHE184B, PHE191A, PHE191B, PHE330A, PHE330B, PHE338A, PHE338B, PHE35A, PHE35B, PHE42A, PHE42B, PHE61A, PHE61B, PHE77A, PHE77B, PHE86A, PHE86B, PRO116A, PRO116B, PRO137A, PRO137B, PRO173A, PRO173B, PRO177A, PRO177B, PRO178A, PRO178B, PRO189A, PRO189B, PRO327A, PRO327B, PRO34A, PRO34B, PRO72A, PRO72B, SER103A, SER103B, SER107A, SER107B, SER183A, SER183B, SER211A, SER40A, SER40B, SER46A, SER46B, SER74A, SER74B, THR110A, THR110B, THR115A, THR115B, THR175A, THR175B, THR181A, THR181B, THR195A, THR195B, THR253A, THR253B, THR32A, THR32B, THR337A, THR381A, THR381B, THR383A, THR383B, THR384A, THR384B, THR76A, THR76B, TRP198A, TRP198B, TRP245A, TRP245B, TRP382A, TRP382B, TRP65A, TRP65B, TYR121A, TYR121B, TYR160A, TYR71A, TYR71B, TYR90A, TYR90B, VAL109A, VAL109B, VAL119A, VAL119B, VAL132A, VAL132B, VAL135A, VAL135B, VAL176A, VAL176B, VAL180A, VAL180B, VAL193A, VAL193B, VAL194A, VAL194B, VAL196A, VAL196B, VAL197A, VAL197B, VAL30A, VAL30B, VAL336A, VAL67A, VAL67B, VAL73A, VAL73B, VAL85A, VAL85B
• A-C: ALA58A, ALA58C, ASN64A, ASN64C, ASN66A, ASN66C, ASP133A, ASP133C, GLU128A, GLU128C, GLU55A, GLU55C, GLY134A, GLY134C, GLY62A, ILE130A, ILE130C, LEU131A, LEU131C, LYS63A, LYS63C, MET123A, MET123C, SER129A, SER129C, SER54A, SER54C, SER59A, SER59C, THR126A, THR126C, TRP65A, TRP65C, TYR121A, TYR121C, VAL132A, VAL132C, VAL135A, VAL135C, VAL67A, VAL67C
• A-D: ALA120A, ALA120D, ALA138A, ALA138D, ALA139A, ALA139D, ALA273A, ALA276A, ALA276D, GLN118A, GLN118D, GLN144A, GLN144D, GLN269A, GLN278A, GLN278D, GLU128A, GLU128D, GLY125A, GLY125D, HIS213A, ILE122A, ILE122D, ILE130A, ILE130D, ILE272A, ILE272D, LEU131A, LEU131D, LEU140A, LEU140D, LYS127A, LYS127D, LYS218A, MET123A, MET123D, PRO124A, PRO124D, PRO137A, PRO137D, PRO281A, SER129A, SER129D, THR126A, THR126D, TYR121A, TYR121D, VAL119A, VAL119D, VAL132A, VAL132D, VAL135A, VAL135D
• B-C: ALA120B, ALA120C, ALA138B, ALA138C, ALA139B, ALA139C, GLN118B, GLN118C, GLN144C, GLN278B, GLN278C, GLU128B, GLU128C, GLY125B, GLY125C, HIS213C, ILE122B, ILE122C, ILE130B, ILE130C, ILE272B, ILE272C, LEU131B, LEU131C, LEU140C, LYS127B, LYS127C, MET123B, MET123C, PRO116C, PRO124B, PRO124C, PRO137B, PRO137C, SER129B, SER129C, THR126B, THR126C, TYR121B, TYR121C, VAL119B, VAL119C, VAL132B, VAL132C, VAL135B, VAL135C
• B-D: ASP133B, ASP133D, GLN118D, GLU128B, GLU128D, GLY134B, GLY134D, ILE130B, ILE130D, LEU131B, LEU131D, MET123B, MET123D, SER129B, SER129D, TYR121B, TYR121D, VAL119B, VAL119D, VAL132B, VAL132D, VAL135B, VAL135D
• C-D: ALA100C, ALA100D, ALA102C, ALA102D, ALA105C, ALA105D, ALA114C, ALA114D, ALA138C, ALA138D, ALA139C, ALA139D, ALA179C, ALA179D, ALA185C, ALA185D, ALA186C, ALA186D, ALA252C, ALA252D, ALA326D, ALA68C, ALA68D, ALA75C, ALA75D, ALA81D, ALA84C, ALA84D, ARG182C, ARG182D, ARG201C, ARG201D, ARG26C, ARG26D, ARG91C, ARG91D, ASN331C, ASN331D, ASN333C, ASN333D, ASN64C, ASN64D, ASN66D, ASN78C, ASN78D, ASP133C, ASP133D, ASP27C, ASP27D, ASP99C, ASP99D, GLN118C, GLN118D, GLU174C, GLU174D, GLU205C, GLU205D, GLU334C, GLU334D, GLU94C, GLU94D, GLY104C, GLY104D, GLY134C, GLY134D, GLY142D, GLY190C, GLY190D, GLY28C, GLY28D, GLY328D, GLY39C, GLY39D, GLY62C, GLY70C, GLY70D, GLY87C, GLY87D, HIS206C, HIS206D, HIS250C, HIS250D, ILE130C, ILE130D, ILE136C, ILE136D, ILE170C, ILE170D, ILE188C, ILE188D, ILE192C, ILE192D, ILE199C, ILE199D, ILE332C, ILE332D, ILE37C, ILE37D, ILE38C, ILE38D, ILE41C, ILE41D, ILE45C, ILE45D, ILE79C, ILE79D, ILE83C, ILE83D, ILE88C, ILE88D, LEU101C, LEU101D, LEU106C, LEU106D, LEU108C, LEU108D, LEU112C, LEU112D, LEU113C, LEU113D, LEU131C, LEU131D, LEU140C, LEU140D, LEU187C, LEU187D, LEU202C, LEU202D, LEU31C, LEU31D, LEU36C, LEU36D, LEU69C, LEU69D, LEU82C, LEU82D, LYS171C, LYS171D, MET141C, MET141D, MET172C, MET172D, MET335C, MET335D, MET33C, MET33D, MET80C, MET80D, PHE111C, PHE111D, PHE117C, PHE117D, PHE184C, PHE184D, PHE191C, PHE191D, PHE330C, PHE330D, PHE338C, PHE338D, PHE35C, PHE35D, PHE42C, PHE42D, PHE61C, PHE61D, PHE77C, PHE77D, PHE86C, PHE86D, PRO116C, PRO116D, PRO137C, PRO137D, PRO173C, PRO173D, PRO177C, PRO177D, PRO178C, PRO178D, PRO189C, PRO189D, PRO327C, PRO327D, PRO34C, PRO34D, PRO72C, PRO72D, SER103C, SER103D, SER107C, SER107D, SER183C, SER183D, SER40C, SER40D, SER46C, SER74C, SER74D, THR110C, THR110D, THR115C, THR115D, THR175C, THR175D, THR181C, THR181D, THR195C, THR195D, THR253C, THR253D, THR32C, THR32D, THR337C, THR381C, THR381D, THR383C, THR383D, THR384C, THR384D, THR76C, THR76D, TRP198C, TRP198D, TRP245C, TRP245D, TRP382C, TRP382D, TRP65C, TRP65D, TYR121C, TYR121D, TYR160C, TYR160D, TYR71C, TYR71D, TYR90C, TYR90D, VAL109C, VAL109D, VAL119C, VAL119D, VAL132C, VAL132D, VAL135C, VAL135D, VAL176C, VAL176D, VAL180C, VAL180D, VAL193C, VAL193D, VAL194C, VAL194D, VAL196C, VAL196D, VAL197C, VAL197D, VAL30C, VAL30D, VAL336C, VAL336D, VAL67C, VAL67D, VAL73C, VAL73D, VAL85C, VAL85D