3BFK

crystal structure of plasmodium falciparum rab11a in complex with gdp

• Total interactions analyzed: 10
• Total true interactions: 7
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 44
  • Norm. En. per Res.: -3.0414
• 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	-12.7354	-39.1136	359.762	307.913	113	42	10	7723	3	28	20
A-C	-13.343	-10.6681	-103.978	-127.9891	45	2	1	4279	1	21	10
A-E	0.0	0.0	-0.0004	-0.0004	2	0	0	1	0	0	0
B-C	0.0	0.0	-23.3133	-23.3133	20	0	0	819	0	2	8
B-D	-8.4407	-19.5684	-105.813	-133.8221	44	2	1	4329	1	21	11
C-D	-6.9575	-42.3773	-94.4596	-143.7944	78	10	3	5110	3	23	14
C-E	-4.297	-14.6066	-135.619	-154.5226	82	4	7	6730	1	33	19

Interface residues

• A-B: ALA140A, ALA144A, ALA150A, ALA156A, ALA159A, ALA165A, ALA49B, ALA69B, ALA76B, ALA80B, ARG133A, ARG33B, ARG75B, ARG83B, ASN125A, ASN136A, ASN138A, ASN161A, ASN171A, ASN175A, ASN26A, ASN37B, ASN57A, ASP128A, ASP137A, ASP19A, ASP93A, ASP9B, GLN142A, GLN168A, GLN54A, GLN64B, GLN71B, GLU147A, GLU153A, GLU163A, GLU172A, GLU35B, GLU47B, GLU72B, GLY124A, GLY18A, GLY21A, GLY23A, GLY45B, GLY70B, GLY84B, HIS131A, HIS167A, ILE120A, ILE152A, ILE17A, ILE44B, ILE53A, ILE61A, ILE77B, ILE94A, LEU11B, LEU121A, LEU122A, LEU149A, LEU164A, LEU169A, LEU16A, LEU170A, LEU27A, LEU28A, LEU28B, LEU55A, LYS126A, LYS130A, LYS13B, LYS145A, LYS146A, LYS148A, LYS24A, LYS41B, LYS51B, LYS62B, PHE151A, PHE166A, PHE31A, PHE48B, SER127A, SER20A, SER25A, SER42B, SER79B, SER99A, THR141A, THR154A, THR160A, THR32B, THR43B, THR50B, THR68B, THR78B, TRP66B, TYR10B, TYR174A, TYR1B, TYR74B, TYR7B, TYR81B, TYR82B, TYR8B, TYR92A, VAL119A, VAL123A, VAL162A, VAL22A, VAL46B, VAL91A
• A-C: ALA156A, ALA159A, ALA182C, ARG177C, ARG30A, ASN161A, ASN175C, ASN185C, ASN26A, ASN37A, ASN57C, ASN58C, ASP128A, ASP34A, ASP9C, GLN178C, GLN181C, GLU158A, GLU163A, GLU35A, HIS131A, ILE60C, LEU129A, LEU132A, LEU157A, LEU164A, LEU38A, LEU55C, LYS126A, LYS130A, LYS179C, LYS184C, LYS56C, LYS59C, PHE36A, SER127A, SER155A, THR160A, THR183C, THR95A, TYR10C, TYR174C, TYR7C, TYR8C, VAL162A
• A-E: ARG75E, LEU38A
• B-C: ALA182B, ALA182C, ALA80B, ALA80C, ARG83B, ARG83C, ASN185B, ASN185C, ASP115B, GLY84B, GLY84C, LYS180B, LYS184B, LYS184C, THR183B, THR183C, TYR7B, TYR7C, TYR8B, TYR8C
• B-D: ALA156D, ALA159D, ALA182B, ARG177B, ARG30D, ASN161D, ASN175B, ASN185B, ASN26D, ASN37D, ASN57B, ASN58B, ASP128D, ASP34D, ASP93D, ASP9B, GLN178B, GLN181B, GLU158D, GLU163D, HIS131D, ILE60B, LEU129D, LEU132D, LEU157D, LEU164D, LEU38D, LYS126D, LYS130D, LYS179B, LYS184B, LYS56B, LYS59B, PHE36D, SER127D, SER155D, THR160D, THR183B, THR95D, TYR10B, TYR174B, TYR7B, TYR8B, VAL162D
• C-D: ALA140D, ALA150D, ALA159D, ALA165D, ALA49C, ALA69C, ALA80C, ARG133D, ARG33C, ARG83C, ASN136D, ASN138D, ASN161D, ASN171D, ASN37C, ASP128D, ASP137D, ASP67C, ASP9C, GLN142D, GLN168D, GLN64C, GLU153D, GLU163D, GLU172D, GLU35C, GLU39C, GLU47C, GLY124D, GLY45C, GLY84C, HIS131D, HIS167D, ILE152D, ILE53D, ILE77C, LEU11C, LEU121D, LEU122D, LEU149D, LEU164D, LEU169D, LEU170D, LEU28C, LEU55D, LYS130D, LYS13C, LYS145D, LYS148D, LYS41C, LYS51C, LYS62C, PHE151D, PHE166D, PHE31D, PHE48C, SER127D, SER25C, SER29C, SER79C, THR141D, THR154D, THR160D, THR32C, THR50C, THR68C, THR78C, TRP66C, TYR10C, TYR7C, TYR81C, TYR82C, TYR8C, TYR92D, VAL123D, VAL15C, VAL162D, VAL46C
• C-E: ALA140C, ALA150C, ALA159C, ALA165C, ALA49E, ALA76E, ALA80E, ARG133C, ARG33E, ARG75E, ARG83E, ASN136C, ASN138C, ASN161C, ASN171C, ASN175C, ASN37E, ASP128C, ASP137C, ASP6E, ASP9E, GLN142C, GLN168C, GLN54C, GLN64E, GLU109E, GLU153C, GLU163C, GLU172C, GLU35E, GLU47E, GLY124C, GLY45E, GLY84E, HIS131C, HIS167C, ILE135C, ILE152C, ILE53C, ILE60E, ILE77E, LEU11E, LEU121C, LEU122C, LEU164C, LEU169C, LEU170C, LEU28E, LEU55C, LYS130C, LYS13E, LYS145C, LYS51E, LYS56C, LYS62E, PHE151C, PHE166C, PHE31C, PHE48E, SER127C, SER25E, SER29E, SER79E, THR141C, THR154C, THR160C, THR32E, THR50E, THR68E, THR78E, TRP66E, TYR10E, TYR7E, TYR81E, TYR82E, TYR8E, TYR92C, VAL123C, VAL134C, VAL15E, VAL162C, VAL46E