2IAA

crystal structure of an electron transfer complex between aromatic amine dephydrogenase and azurin from alcaligenes faecalis (form 2)

• Total interactions analyzed: 10
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 89
  • Norm. En. per Res.: -5.899
• Hub Node: A(4)

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	-81.6879	-56.1132	-394.762	-532.5631	135	27	6	15318	9	28	28
A-C	0.0	-1.0365	-62.03	-63.0665	51	4	2	2984	1	6	6
A-D	-79.7815	-216.5644	-228.665	-525.0109	89	10	2	7993	16	46	40
A-E	-58.4083	10.754	-251.964	-299.6183	101	14	1	9969	4	16	16
B-C	0.0	0.0	-35.7794	-35.7794	44	4	2	2501	0	5	6
B-D	-66.2368	-10.7952	-290.512	-367.544	108	17	1	11163	2	18	19
C-D	0.0	0.0	-2.3785	-2.3785	12	0	0	196	0	0	1
D-E	-81.4516	-56.9377	-384.388	-522.7773	134	23	5	15170	9	26	28

Interface residues

• A-B: ALA116B, ALA156A, ALA159A, ALA235A, ALA35B, ALA378A, ALA87B, ARG100B, ARG102A, ARG105A, ARG108A, ARG132A, ARG90B, ARG98B, ASN109B, ASN112B, ASN117B, ASN119B, ASN137A, ASN155A, ASN81A, ASN94B, ASP110A, ASP110B, ASP201A, ASP229A, ASP230A, ASP37B, CYS114B, CYS124B, CYS182A, CYS199A, CYS34B, CYS83B, CYS88B, CYS91B, CYS93B, GLN134A, GLN154A, GLN92B, GLN96B, GLU101A, GLU104B, GLU118B, GLU307A, GLU59A, GLU99B, GLY102B, GLY106A, GLY135A, GLY181A, GLY200A, GLY202A, GLY203A, GLY284A, GLY308A, GLY38B, GLY54B, GLY84B, GLY89B, HIS100A, HIS108B, HIS123B, HIS310A, HIS56A, HIS83A, ILE103A, ILE198A, ILE232A, ILE234A, ILE60B, LEU107B, LEU136A, LEU141A, LEU337A, LEU380A, LEU57A, LYS107A, LYS131A, LYS228A, LYS306A, LYS311A, LYS85B, MET115B, MET55A, PHE105B, PHE106B, PHE122B, PHE225A, PHE233A, PHE245A, PHE312A, PHE39B, PHE54A, PHE80A, PRO101B, PRO130A, PRO158A, PRO231A, PRO313A, PRO59B, SER109A, SER120B, SER157A, SER184A, SER226A, SER247A, SER55B, SER61B, THR104A, THR121B, THR125B, THR160A, THR197A, THR309A, THR58A, THR65B, THR86B, THR95B, THR97B, THR98A, TRP113B, TRP183A, TYR103B, TYR138A, TYR248A, TYR249A, TYR285A, TYR99A, VAL111B, VAL133A, VAL227A, VAL246A, VAL36B, VAL53A
• A-C: ALA156A, ALA159A, ALA178A, ALA179A, ALA180A, ALA42C, ALA43C, ALA60C, ALA66C, ARG220A, ASN69C, ASP11C, ASP201A, ASP62C, CYS182A, CYS199A, GLN218A, GLN223A, GLY116C, GLY181A, GLY200A, GLY202A, GLY203A, GLY45C, GLY67C, HIS117C, LEU205A, LEU39C, LEU68C, LYS131A, LYS222A, LYS228A, LYS41C, LYS65C, MET13C, MET44C, MET64C, PHE114C, PRO115C, PRO158A, PRO40C, SER157A, SER161A, SER221A, SER57C, THR160A, THR177A, THR61C, TRP118C, TYR72C, VAL227A
• A-D: ALA376A, ALA376D, ALA378A, ALA378D, ALA79A, ALA79D, ARG102A, ARG102D, ARG105A, ARG105D, ARG108A, ARG108D, ARG61A, ARG61D, ASP110A, ASP110D, ASP51A, ASP51D, GLU101A, GLU101D, GLU113A, GLU113D, GLU123A, GLU123D, GLU125A, GLU125D, GLU377A, GLU377D, GLU59A, GLU59D, HIS100A, HIS100D, HIS56A, HIS56D, HIS63A, HIS63D, ILE103A, ILE103D, ILE126A, ILE126D, LEU128D, LEU57A, LEU57D, LYS107A, LYS107D, LYS124A, LYS124D, MET55A, MET55D, MET75A, MET75D, PHE122A, PHE122D, PHE54A, PHE54D, PHE80A, PHE80D, PRO77A, PRO77D, SER109A, SER109D, SER127A, SER127D, SER60A, SER60D, THR104A, THR104D, THR58A, THR58D, THR78A, THR78D, THR97A, THR97D, THR98A, THR98D, TRP115A, TRP115D, TYR99A, TYR99D, VAL111A, VAL111D, VAL112A, VAL112D, VAL114A, VAL114D, VAL53A, VAL53D, VAL76A, VAL76D
• A-E: ALA117A, ALA375A, ALA376A, ALA41A, ALA79A, ALA87E, ARG30A, ARG32E, ARG46A, ARG61A, ARG90E, ASN26E, ASN69A, ASP116A, ASP118A, ASP51A, ASP81E, CYS124E, CYS41E, CYS43E, CYS44E, CYS51E, CYS82E, CYS83E, CYS88E, GLU22E, GLU31A, GLU373A, GLU377A, GLU59A, GLY131E, GLY354A, GLY35A, GLY36A, GLY374A, GLY45E, GLY46E, GLY54E, GLY70A, GLY74A, GLY84E, GLY89E, HIS123E, HIS37A, HIS63A, HIS80E, ILE372A, ILE60E, ILE77E, ILE93A, LEU120A, LEU129E, LEU33A, LEU73A, LYS119A, LYS71A, LYS85E, MET75A, PHE122A, PHE122E, PHE72A, PRO29A, PRO52E, PRO53E, PRO57E, PRO59E, PRO77A, SER127E, SER38A, SER40A, SER42E, SER55E, SER58E, SER60A, SER61E, SER78E, THR121A, THR121E, THR125E, THR126E, THR34A, THR47E, THR48E, THR49E, THR50E, THR56E, THR58A, THR78A, THR86E, TRP115A, TYR65A, TYR79E, VAL128E, VAL130E, VAL32A, VAL39A, VAL49A, VAL53A, VAL62A, VAL64A, VAL76A
• B-C: ALA116B, ALA43C, ASN10C, ASN117B, ASP11C, GLN14C, GLU104B, GLU118B, GLY116C, GLY37C, GLY64B, HIS117C, HIS46C, HIS80B, ILE120C, ILE60B, ILE63B, ILE77B, LEU107B, LEU39C, LEU76B, LYS122C, LYS134B, LYS38C, MET115B, MET13C, MET44C, PHE105B, PHE106B, PHE114C, PRO115C, PRO40C, PRO59B, SER119C, SER12C, SER58B, SER61B, SER78B, THR56B, TRP113B, TRP118C, TYR103B, VAL128B, VAL130B
• B-D: ALA117D, ALA133B, ALA375D, ALA376D, ALA41D, ALA79D, ALA87B, ARG30D, ARG32B, ARG46D, ARG61D, ARG90B, ASN26B, ASP116D, ASP118D, ASP51D, ASP74B, ASP81B, CYS124B, CYS41B, CYS43B, CYS44B, CYS51B, CYS82B, CYS83B, CYS88B, GLU22B, GLU31D, GLU373D, GLU377D, GLU59D, GLY131B, GLY354D, GLY35D, GLY36D, GLY374D, GLY45B, GLY46B, GLY54B, GLY70D, GLY74D, GLY84B, GLY89B, HIS123B, HIS37D, HIS63D, HIS80B, ILE372D, ILE60B, ILE77B, ILE93D, LEU120D, LEU129B, LEU132B, LEU33D, LEU73D, LEU76B, LYS119D, LYS71D, LYS73B, LYS85B, MET75D, PHE122B, PHE122D, PHE39B, PHE72D, PRO29D, PRO52B, PRO53B, PRO57B, PRO59B, PRO77D, SER127B, SER38D, SER40D, SER42B, SER55B, SER58B, SER60D, SER61B, SER78B, THR121B, THR121D, THR125B, THR126B, THR34D, THR47B, THR48B, THR49B, THR50B, THR56B, THR58D, THR78D, THR86B, TRP115D, TRP31B, TYR65D, TYR75B, TYR79B, VAL128B, VAL130B, VAL32D, VAL39D, VAL49D, VAL53D, VAL62D, VAL64D, VAL76D
• C-D: ARG30D, ASN10C, ASN16C, GLN14C, GLU31D, ILE120C, LEU33D, LYS18C, PHE15C, PRO29D, SER12C, VAL32D
• D-E: ALA116E, ALA156D, ALA159D, ALA235D, ALA35E, ALA378D, ALA87E, ARG100E, ARG102D, ARG105D, ARG108D, ARG132D, ARG90E, ARG98E, ASN109E, ASN112E, ASN117E, ASN119E, ASN137D, ASN155D, ASN81D, ASN94E, ASP110D, ASP110E, ASP201D, ASP229D, ASP230D, ASP37E, CYS114E, CYS124E, CYS182D, CYS199D, CYS34E, CYS83E, CYS88E, CYS91E, CYS93E, GLN134D, GLN154D, GLN92E, GLN96E, GLU101D, GLU104E, GLU118E, GLU307D, GLU59D, GLU99E, GLY102E, GLY106D, GLY135D, GLY181D, GLY200D, GLY202D, GLY203D, GLY284D, GLY308D, GLY38E, GLY54E, GLY84E, GLY89E, HIS100D, HIS108E, HIS123E, HIS310D, HIS56D, HIS83D, ILE103D, ILE198D, ILE232D, ILE234D, ILE60E, LEU107E, LEU136D, LEU141D, LEU337D, LEU380D, LEU57D, LYS107D, LYS131D, LYS228D, LYS306D, LYS311D, LYS85E, MET115E, MET224D, MET55D, PHE105E, PHE106E, PHE122E, PHE225D, PHE233D, PHE245D, PHE312D, PHE39E, PHE54D, PHE80D, PRO101E, PRO130D, PRO158D, PRO231D, PRO313D, PRO59E, SER109D, SER120E, SER157D, SER184D, SER226D, SER247D, SER61E, THR104D, THR121E, THR125E, THR160D, THR197D, THR309D, THR58D, THR65E, THR86E, THR95E, THR97E, THR98D, TRP113E, TRP183D, TYR103E, TYR138D, TYR248D, TYR249D, TYR285D, TYR99D, VAL111E, VAL133D, VAL227D, VAL246D, VAL53D