3HPN

ligand recognition by a-class eph receptors: crystal structures of the epha2 ligand-binding domain and the epha2/ephrin-a1 complex

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 118
  • Norm. En. per Res.: -3.2306
• Hub Node: B(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	-59.9333	6.2916	-327.568	-381.2097	118	23	2	12708	0	30	32
A-D	0.0	0.0	0.1848	0.1848	14	16	0	681	0	4	2
B-D	0.0	0.0	-49.5241	-49.5241	38	7	1	2670	0	6	6
B-E	-2.7045	0.0	1.5956	-1.1089	12	9	0	593	0	2	0
B-F	0.0	-8.6659	-51.8268	-60.4927	41	7	1	2931	0	7	5
C-D	-47.1929	4.9961	-335.64	-377.8368	122	24	2	12820	0	31	35
C-F	0.0	0.0	-3.3833	-3.3833	7	0	0	250	0	2	1
D-F	0.0	0.0	89.0999	89.0999	42	36	0	3637	0	9	5
E-F	-62.0778	4.5295	-322.59	-380.1383	118	20	2	12672	0	28	33

Interface residues

• A-B: ALA10A, ALA10B, ALA131A, ALA131B, ALA160A, ALA160B, ALA163A, ALA163B, ALA8A, ALA8B, ALA9A, ALA9B, ARG132A, ARG132B, ARG168A, ARG168B, ARG76A, ARG76B, ASN30A, ASN30B, ASN33A, ASN33B, ASN44A, ASN44B, ASP128A, ASP128B, ASP34A, ASP34B, ASP6A, ASP6B, ASP77A, ASP77B, CYS161A, CYS161B, CYS43A, CYS43B, GLN29A, GLN29B, GLU130A, GLU130B, GLU13A, GLU13B, GLU70A, GLU70B, GLY11A, GLY11B, GLY12A, GLY12B, HIS133A, HIS133B, ILE31A, ILE31B, ILE37A, ILE37B, LEU136A, LEU136B, LEU164A, LEU164B, LEU165A, LEU165B, LEU27A, LEU27B, LYS135A, LYS135B, LYS72A, LYS72B, MET28A, MET28B, MET32A, MET32B, MET35A, MET35B, MET39A, MET39B, PHE129A, PHE129B, PHE73A, PHE73B, PHE7A, PHE7B, PHE81A, PHE81B, PRO36A, PRO36B, SER126A, SER126B, SER127A, SER127B, SER166A, SER166B, SER41A, SER41B, SER80A, SER80B, THR124A, THR124B, THR74A, THR74B, TYR38A, TYR38B, TYR40A, TYR40B, VAL125A, VAL125B, VAL134A, VAL134B, VAL138A, VAL138B, VAL162A, VAL162B, VAL167A, VAL167B, VAL42A, VAL42B, VAL45A, VAL45B, VAL75A, VAL75B
• A-D: ARG110D, ASN30A, GLN108D, GLN29A, ILE31A, ILE37A, LEU27A, LYS109D, MET28A, MET32A, MET35A, MET39A, PRO36A, TYR38A
• B-D: ALA10B, ARG110D, ASN106D, ASN30B, ASP102D, ASP26B, GLN108D, GLN29B, GLU13B, GLY104D, GLY11B, GLY15B, GLY22B, GLY22D, HIS19D, ILE31B, ILE37B, LEU101D, LEU111D, LEU14B, LEU17D, LEU27B, LYS109D, LYS23B, LYS23D, MET28B, MET39B, PHE107D, PRO20D, PRO36B, THR105D, THR18D, TRP16B, TYR103D, TYR21B, TYR21D, TYR38B, TYR40B
• B-E: ARG110B, ASN30E, GLN108B, GLN29E, ILE31E, ILE37E, LYS109B, MET28E, MET32E, MET35E, PRO36E, TYR38E
• B-F: ALA10F, ARG110B, ASN106B, ASN30F, ASP102B, ASP26F, GLN108B, GLN29F, GLU13F, GLY104B, GLY11F, GLY15F, GLY22B, GLY22F, HIS19B, ILE31F, ILE37F, LEU101B, LEU111B, LEU14F, LEU17B, LEU17F, LEU27F, LYS109B, LYS23B, LYS23F, MET28F, MET39F, PHE107B, PRO20B, PRO36F, THR105B, THR105F, THR18B, TRP16F, TRP25F, TYR103B, TYR21B, TYR21F, TYR38F, TYR40F
• C-D: ALA10C, ALA10D, ALA131C, ALA131D, ALA160C, ALA160D, ALA163C, ALA163D, ALA8C, ALA8D, ALA9C, ALA9D, ARG132C, ARG132D, ARG168C, ARG168D, ARG76C, ARG76D, ASN137D, ASN30C, ASN30D, ASN33C, ASN33D, ASN44C, ASN44D, ASP128C, ASP128D, ASP34C, ASP34D, ASP6C, ASP6D, ASP77C, ASP77D, CYS161C, CYS161D, CYS43C, CYS43D, GLN29C, GLN29D, GLU130C, GLU130D, GLU13C, GLU13D, GLU70C, GLU70D, GLY11C, GLY11D, GLY12C, GLY12D, HIS133C, HIS133D, ILE123C, ILE31C, ILE31D, ILE37C, ILE37D, LEU136C, LEU136D, LEU164C, LEU164D, LEU165C, LEU165D, LEU27C, LEU27D, LYS135C, LYS135D, LYS72C, LYS72D, MET28C, MET28D, MET32C, MET32D, MET35C, MET35D, MET39C, MET39D, PHE129C, PHE129D, PHE73C, PHE73D, PHE7C, PHE7D, PHE81C, PHE81D, PRO36C, PRO36D, PRO82C, PRO82D, SER126C, SER126D, SER127C, SER127D, SER166C, SER166D, SER41C, SER41D, SER80C, SER80D, THR124C, THR124D, THR74C, THR74D, TYR38C, TYR38D, TYR40C, TYR40D, VAL125C, VAL125D, VAL134C, VAL134D, VAL138C, VAL138D, VAL162C, VAL162D, VAL167C, VAL167D, VAL42C, VAL42D, VAL45C, VAL45D, VAL75C, VAL75D
• C-F: ARG110F, ASN30C, GLN29C, ILE31C, MET28C, MET32C, MET39C
• D-F: ALA10D, ARG110F, ASN106F, ASN30D, ASP102F, ASP26D, GLN108F, GLN29D, GLU13D, GLY104F, GLY11D, GLY15D, GLY22D, GLY22F, HIS19F, ILE31D, ILE37D, LEU101F, LEU111F, LEU14D, LEU17F, LEU27D, LYS109F, LYS23D, LYS23F, MET28D, MET35D, MET39D, PHE107F, PHE112F, PHE7D, PRO20F, PRO36D, THR105F, THR18F, TRP16D, TRP25D, TYR103F, TYR21D, TYR21F, TYR38D, TYR40D
• E-F: ALA10E, ALA10F, ALA131E, ALA131F, ALA160E, ALA160F, ALA163E, ALA163F, ALA8E, ALA8F, ALA9E, ALA9F, ARG132E, ARG132F, ARG168E, ARG168F, ARG76E, ARG76F, ASN137E, ASN30E, ASN30F, ASN33E, ASN33F, ASN44E, ASN44F, ASP128E, ASP128F, ASP34E, ASP34F, ASP6E, ASP6F, ASP77E, ASP77F, CYS161E, CYS161F, CYS43E, CYS43F, GLN29E, GLN29F, GLU130E, GLU130F, GLU13E, GLU13F, GLU70E, GLU70F, GLY11E, GLY11F, GLY12E, GLY12F, HIS133E, HIS133F, ILE123E, ILE31E, ILE31F, ILE37E, ILE37F, LEU136E, LEU136F, LEU164E, LEU164F, LEU165E, LEU165F, LEU27F, LYS135E, LYS135F, LYS72E, LYS72F, MET28E, MET28F, MET32E, MET32F, MET35E, MET35F, MET39E, MET39F, PHE129E, PHE129F, PHE73E, PHE73F, PHE7E, PHE7F, PHE81E, PHE81F, PRO36E, PRO36F, SER126E, SER126F, SER127E, SER166E, SER166F, SER41E, SER41F, SER80E, SER80F, THR124E, THR124F, THR74E, THR74F, TYR38E, TYR38F, TYR40E, TYR40F, VAL125E, VAL125F, VAL134E, VAL134F, VAL138E, VAL138F, VAL162E, VAL162F, VAL167E, VAL167F, VAL42E, VAL42F, VAL45E, VAL45F, VAL75E, VAL75F