3RUV

crystal structure of cpn-rls in complex with atp analogue from methanococcus maripaludis

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 288
  • Norm. En. per Res.: -3.655
• Hub Node: A(2)

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	-266.6612	-32.2539	-753.725	-1052.6401	288	56	18	31762	15	131	154
A-C	0.0	-2.0265	-2.6409	-4.6674	17	0	0	302	0	5	3
B-C	-267.1458	-34.498	-721.96	-1023.6038	282	50	18	30407	12	130	148
B-D	0.0	4.1267	-3.1606	0.9661	19	0	0	308	0	5	3
C-D	-234.543	-38.2357	-729.302	-1002.0807	284	51	16	31033	14	133	151

Interface residues

• A-B: ALA126B, ALA163A, ALA166A, ALA201A, ALA20A, ALA20B, ALA221A, ALA248A, ALA248B, ALA256A, ALA256B, ALA27A, ALA27B, ALA294A, ALA299A, ALA318B, ALA323B, ALA327B, ALA328B, ALA32A, ALA330B, ALA331B, ALA448A, ALA498B, ALA502B, ALA503B, ALA517A, ALA517B, ALA518B, ALA74A, ALA74B, ALA75A, ALA75B, ALA82B, ALA96B, ARG14A, ARG14B, ARG18A, ARG218A, ARG22A, ARG251A, ARG251B, ARG29A, ARG307A, ARG308A, ARG346A, ARG36A, ARG370A, ARG382A, ARG493B, ARG511B, ASN11B, ASN236B, ASN24A, ASN24B, ASN324B, ASN447A, ASN59A, ASP183B, ASP184B, ASP189B, ASP191B, ASP19A, ASP204A, ASP205A, ASP247A, ASP247B, ASP254A, ASP254B, ASP271B, ASP291A, ASP292A, ASP336B, ASP351A, ASP45A, ASP50A, ASP513B, ASP514B, ASP51A, ASP54A, CYS237B, GLN125B, GLN129B, GLN132B, GLN21A, GLN21B, GLN222A, GLN264A, GLN264B, GLN287B, GLN295A, GLN335B, GLN497B, GLN4B, GLN500B, GLN85B, GLU10B, GLU164A, GLU185B, GLU217A, GLU240A, GLU240B, GLU243A, GLU243B, GLU245B, GLU249A, GLU249B, GLU260A, GLU260B, GLU263A, GLU263B, GLU265A, GLU265B, GLU266A, GLU275B, GLU315B, GLU33A, GLU344A, GLU345A, GLU374A, GLU378A, GLU379A, GLU446A, GLU504B, GLU507B, GLU519B, GLU67A, GLU71A, GLU71B, GLU80B, GLU88B, GLY123B, GLY160A, GLY162A, GLY17B, GLY200A, GLY28A, GLY350A, GLY371A, GLY40A, GLY43A, GLY449A, GLY53A, GLY6B, HIS116B, HIS296A, HIS375A, HIS72A, HIS72B, ILE119B, ILE158A, ILE203A, ILE241A, ILE241B, ILE250A, ILE250B, ILE252A, ILE252B, ILE25A, ILE262A, ILE262B, ILE30A, ILE31A, ILE326B, ILE329B, ILE348A, ILE377A, ILE499B, ILE512B, ILE516B, ILE64A, ILE79A, ILE79B, LEU192B, LEU258A, LEU258B, LEU269A, LEU26A, LEU293A, LEU332B, LEU48A, LEU509B, LEU510B, LEU52A, LEU65A, LEU78B, LEU8B, LYS122B, LYS13A, LYS13B, LYS161A, LYS165A, LYS167A, LYS187B, LYS190B, LYS194B, LYS198A, LYS225A, LYS226A, LYS242A, LYS242B, LYS257A, LYS257B, LYS267B, LYS270A, LYS288B, LYS300A, LYS311B, LYS319B, LYS347A, LYS42A, LYS46A, LYS76A, LYS76B, LYS83B, LYS87B, MET12B, MET16A, MET16B, MET223A, MET23A, MET23B, MET259A, MET259B, MET268A, MET268B, MET272B, MET44A, MET47A, MET508B, MET68A, MET77B, PHE261A, PHE261B, PHE476A, PRO117B, PRO255A, PRO41A, PRO5B, PRO73A, PRO73B, PRO9B, SER199A, SER202A, SER220A, SER333B, SER349A, SER352A, SER37A, SER501B, SER505B, SER69A, THR118B, THR159A, THR244A, THR244B, THR246B, THR253A, THR253B, THR34A, THR372A, THR373A, THR38A, THR496B, THR506B, THR58A, THR84B, TYR124B, TYR15A, TYR15B, TYR297A, VAL121B, VAL188B, VAL219A, VAL325B, VAL35A, VAL376A, VAL380A, VAL49A, VAL515A, VAL515B, VAL55A, VAL56A, VAL57A, VAL70A, VAL7B, VAL81B, VAL89B
• A-C: ALA248C, ARG251A, ARG251C, ASP247C, GLU245C, GLU249A, GLU249C, ILE250A, ILE252A, ILE262A, LEU258A, MET47A, PRO5C, THR244C, THR246C, THR253A, VAL49A
• B-C: ALA126C, ALA163B, ALA166B, ALA201B, ALA20C, ALA221B, ALA238C, ALA248B, ALA248C, ALA256B, ALA256C, ALA27B, ALA27C, ALA294B, ALA299B, ALA318C, ALA323C, ALA327C, ALA328C, ALA32B, ALA330C, ALA331C, ALA448B, ALA498C, ALA502C, ALA503C, ALA517B, ALA517C, ALA518C, ALA74B, ALA74C, ALA75B, ALA75C, ALA82C, ALA96C, ARG14B, ARG14C, ARG218B, ARG22B, ARG251B, ARG251C, ARG29B, ARG307B, ARG308B, ARG346B, ARG36B, ARG370B, ARG382B, ARG493C, ARG511C, ASN11C, ASN236C, ASN24B, ASN24C, ASN324C, ASN447B, ASN59B, ASP183C, ASP184C, ASP189C, ASP191C, ASP19B, ASP204B, ASP205B, ASP247B, ASP247C, ASP254B, ASP254C, ASP271C, ASP291B, ASP292B, ASP336C, ASP351B, ASP45B, ASP50B, ASP513C, ASP514C, ASP51B, ASP54B, CYS237C, GLN125C, GLN129C, GLN132C, GLN21C, GLN222B, GLN264B, GLN264C, GLN287C, GLN295B, GLN335C, GLN497C, GLN4C, GLN500C, GLN85C, GLU10C, GLU164B, GLU185C, GLU217B, GLU240B, GLU243B, GLU243C, GLU245C, GLU249B, GLU249C, GLU260B, GLU260C, GLU263B, GLU263C, GLU265B, GLU265C, GLU266B, GLU315C, GLU33B, GLU344B, GLU374B, GLU378B, GLU379B, GLU446B, GLU504C, GLU507C, GLU519C, GLU67B, GLU71B, GLU71C, GLU80C, GLU88C, GLY123C, GLY160B, GLY162B, GLY17C, GLY200B, GLY28B, GLY350B, GLY371B, GLY40B, GLY43B, GLY449B, GLY53B, GLY6C, HIS116C, HIS296B, HIS375B, HIS72B, HIS72C, ILE119C, ILE158B, ILE203B, ILE241B, ILE241C, ILE250B, ILE250C, ILE252B, ILE252C, ILE25B, ILE262B, ILE262C, ILE30B, ILE31B, ILE326C, ILE329C, ILE348B, ILE377B, ILE499C, ILE512C, ILE516C, ILE64B, ILE79B, ILE79C, LEU192C, LEU258B, LEU258C, LEU269B, LEU269C, LEU26B, LEU293B, LEU332C, LEU48B, LEU509C, LEU510C, LEU52B, LEU65B, LEU78B, LEU78C, LEU8C, LYS122C, LYS13B, LYS13C, LYS161B, LYS165B, LYS167B, LYS187C, LYS190C, LYS198B, LYS225B, LYS226B, LYS242B, LYS242C, LYS257B, LYS257C, LYS267C, LYS270B, LYS288C, LYS300B, LYS311C, LYS319C, LYS347B, LYS363C, LYS42B, LYS46B, LYS76B, LYS76C, LYS83C, LYS87C, MET12C, MET16C, MET23B, MET23C, MET259B, MET259C, MET268B, MET268C, MET272C, MET44B, MET47B, MET508C, MET68B, MET77C, PHE261B, PHE261C, PHE476B, PRO117C, PRO255B, PRO41B, PRO5C, PRO73B, PRO73C, PRO9C, SER199B, SER202B, SER220B, SER333C, SER349B, SER352B, SER37B, SER501C, SER505C, SER69B, THR118C, THR159B, THR244B, THR244C, THR246C, THR253B, THR253C, THR34B, THR372B, THR373B, THR38B, THR496C, THR506C, THR58B, THR84C, TYR15B, TYR15C, TYR297B, VAL121C, VAL188C, VAL219B, VAL325C, VAL35B, VAL376B, VAL380B, VAL49B, VAL515B, VAL515C, VAL55B, VAL56B, VAL57B, VAL70B, VAL7C, VAL81C, VAL89C
• B-D: ALA248D, ARG251B, ARG251D, ASP247D, GLU245D, GLU249B, GLU249D, ILE250B, ILE252B, ILE262B, LEU258B, MET47B, PHE261B, PRO255B, PRO5D, THR244D, THR246D, THR253B, VAL49B
• C-D: ALA126D, ALA163C, ALA166C, ALA201C, ALA20C, ALA20D, ALA221C, ALA238D, ALA248C, ALA248D, ALA256C, ALA256D, ALA27C, ALA27D, ALA294C, ALA299C, ALA318D, ALA323D, ALA327D, ALA328D, ALA32C, ALA330D, ALA331D, ALA448C, ALA498D, ALA502D, ALA503D, ALA517C, ALA517D, ALA518D, ALA74C, ALA74D, ALA75C, ALA75D, ALA82D, ALA96D, ARG14C, ARG14D, ARG218C, ARG22C, ARG251C, ARG251D, ARG29C, ARG307C, ARG308C, ARG346C, ARG36C, ARG370C, ARG382C, ARG493D, ARG511D, ASN11D, ASN236D, ASN24C, ASN24D, ASN324D, ASN447C, ASN59C, ASP183D, ASP184D, ASP189D, ASP191D, ASP19C, ASP204C, ASP205C, ASP247C, ASP247D, ASP254C, ASP254D, ASP271D, ASP291C, ASP292C, ASP336D, ASP351C, ASP45C, ASP50C, ASP513D, ASP514D, ASP51C, ASP54C, CYS237D, GLN125D, GLN129D, GLN132D, GLN21D, GLN222C, GLN264C, GLN264D, GLN287D, GLN295C, GLN335D, GLN497D, GLN4D, GLN500D, GLN85D, GLU10D, GLU164C, GLU185D, GLU217C, GLU240C, GLU243C, GLU243D, GLU245D, GLU249C, GLU249D, GLU260C, GLU260D, GLU263C, GLU263D, GLU265C, GLU265D, GLU266C, GLU275D, GLU315D, GLU33C, GLU344C, GLU345C, GLU374C, GLU378C, GLU379C, GLU446C, GLU504D, GLU507D, GLU519D, GLU67C, GLU71C, GLU71D, GLU80D, GLU88D, GLY160C, GLY162C, GLY17D, GLY200C, GLY28C, GLY322D, GLY350C, GLY371C, GLY40C, GLY43C, GLY449C, GLY53C, GLY6D, HIS116D, HIS296C, HIS375C, HIS72C, HIS72D, ILE119D, ILE158C, ILE203C, ILE241C, ILE241D, ILE250C, ILE250D, ILE252C, ILE252D, ILE25C, ILE262C, ILE262D, ILE30C, ILE31C, ILE326D, ILE329D, ILE348C, ILE377C, ILE499D, ILE512D, ILE516D, ILE64C, ILE79C, ILE79D, LEU192D, LEU258C, LEU258D, LEU269C, LEU26C, LEU293C, LEU332D, LEU342C, LEU48C, LEU509D, LEU510D, LEU52C, LEU65C, LEU78C, LEU78D, LEU8D, LYS122D, LYS13C, LYS13D, LYS161C, LYS165C, LYS167C, LYS187D, LYS190D, LYS198C, LYS225C, LYS226C, LYS242C, LYS242D, LYS257C, LYS257D, LYS267D, LYS270C, LYS288D, LYS300C, LYS311D, LYS319D, LYS347C, LYS42C, LYS46C, LYS76C, LYS76D, LYS83D, LYS87D, MET12D, MET16D, MET23C, MET23D, MET259C, MET259D, MET268C, MET268D, MET272D, MET44C, MET47C, MET508D, MET68C, MET77D, PHE261C, PHE261D, PHE476C, PRO117D, PRO255C, PRO41C, PRO5D, PRO73C, PRO73D, PRO9D, SER199C, SER202C, SER220C, SER333D, SER349C, SER352C, SER37C, SER501D, SER505D, SER69C, THR118D, THR159C, THR244C, THR244D, THR246D, THR253C, THR253D, THR34C, THR372C, THR373C, THR38C, THR496D, THR506D, THR58C, THR84D, TYR15C, TYR15D, TYR297C, VAL121D, VAL188D, VAL219C, VAL325D, VAL35C, VAL376C, VAL380C, VAL49C, VAL515C, VAL515D, VAL55C, VAL56C, VAL57C, VAL70C, VAL7D, VAL81D, VAL89D