1MDA

crystal structure of an electron-transfer complex between methylamine dehydrogenase and amicyanin

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: L-J
  • Int. Res.: 121
  • Norm. En. per Res.: -3.1896
• Hub Node: H(5)

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
H-L	-38.4955	-89.8676	-320.626	-448.989	141	18	12	13975	4	30	20
H-J	-26.7374	-103.5321	-57.7508	-188.0203	78	21	2	4500	10	29	14
H-M	-43.1367	-48.7958	-258.924	-350.8565	123	32	6	11887	2	21	12
H-A	0.0	0.0	-27.5324	-27.5324	27	1	1	1508	0	1	3
H-B	0.0	0.0	-0.0215	-0.0215	2	0	0	6	0	2	0
L-J	-53.7718	-53.9436	-278.225	-385.9404	121	37	5	12010	2	21	13
L-A	0.0	1.9769	-72.3422	-70.3653	53	16	0	4298	0	7	13
J-M	-37.507	-94.2561	-305.777	-437.5401	140	27	12	13849	5	30	21
J-A	0.0	0.0	-0.3933	-0.3933	6	0	0	63	0	2	0
J-B	0.0	0.0	-33.3484	-33.3484	28	0	1	1565	0	1	3
M-B	0.0	1.7736	-69.0364	-67.2628	53	6	1	4123	0	8	14

Interface residues

• H-L: ALA102L, ALA117H, ALA11L, ALA147H, ALA185H, ALA228H, ALA230H, ALA264H, ALA291H, ALA292H, ALA293H, ALA32L, ALA40H, ALA43H, ALA87L, ALA90H, ARG10L, ARG125H, ARG262H, ARG287H, ARG88H, ARG94H, ASN103L, ASN211H, ASN260H, ASN295H, ASN34L, ASN81L, ASN90L, ASN99L, ASP101L, ASP104L, ASP113L, ASP315H, ASP76L, ASP8L, ASP96H, CYS108L, CYS167H, CYS183H, CYS206H, CYS212H, CYS289H, CYS29L, CYS78L, CYS88L, GLN14L, GLN205H, GLN210H, GLN215H, GLU112L, GLU284H, GLU294H, GLU360H, GLU92L, GLU94L, GLY114L, GLY123H, GLY144H, GLY181H, GLY208H, GLY265H, GLY33L, GLY44H, GLY49L, GLY55L, GLY79L, GLY84L, GLY92H, GLY93L, HIS118L, HIS169H, HIS285H, HIS314H, ILE105L, ILE106L, ILE128H, ILE31L, LEU142H, LEU281H, LEU290H, LEU51L, LEU67H, LEU89L, LEU95L, LYS100L, LYS12L, LYS357H, LYS69L, LYS91H, LYS93H, MET115L, PHE109L, PHE120H, PHE141H, PHE143H, PHE168H, PHE261H, PHE266H, PHE42H, PHE66H, PHE86H, PRO124H, PRO184H, PRO39H, PRO96L, PRO9L, SER120L, SER121H, SER145H, SER166H, SER182H, SER186H, SER213H, SER214H, SER263H, SER286H, SER288H, SER316H, SER83L, SER89H, THR116L, THR207H, THR282H, THR45H, THR46H, THR50L, THR84H, THR91L, TRP107L, TRP13L, TRP227H, TYR117L, TYR41H, TYR80L, TYR98L, VAL122H, VAL229H, VAL283H, VAL82L, VAL97L
• H-J: ALA110H, ALA110J, ALA40H, ALA40J, ALA43H, ALA43J, ALA65H, ALA65J, ALA87H, ALA87J, ALA90H, ALA90J, ARG88H, ARG88J, ARG94J, ASP111H, ASP111J, ASP356H, ASP356J, ASP96H, ASP96J, GLU113H, GLU113J, GLU47H, GLU47J, GLU99H, GLU99J, GLY44H, GLY44J, GLY64H, GLY64J, ILE112H, ILE112J, LEU107H, LEU107J, LEU114H, LEU114J, LEU38H, LEU38J, LEU63H, LEU63J, LEU81H, LEU81J, LYS357H, LYS357J, LYS91H, LYS91J, LYS93J, PHE101H, PHE101J, PHE106H, PHE106J, PHE86H, PHE86J, PRO108H, PRO108J, SER62H, SER62J, SER83H, SER83J, SER85H, SER85J, SER89H, SER89J, THR45H, THR45J, THR46H, THR46J, THR84H, THR84J, THR95H, THR95J, TYR41J, TYR97H, TYR97J, VAL100J, VAL98H, VAL98J
• H-M: ALA10H, ALA11H, ALA12H, ALA14H, ALA16H, ALA17H, ALA22M, ALA40M, ALA53M, ALA6H, ALA73M, ALA87M, ALA9H, ARG27M, ARG33H, ARG75M, ARG85M, ASN18M, ASN48H, ASN63M, ASN68M, ASN81M, ASP102H, ASP17M, ASP19H, ASP19M, ASP24H, ASP356H, ASP37M, ASP66M, CYS23H, CYS23M, CYS36M, CYS38M, CYS46M, CYS77M, CYS78M, CYS86M, GLN16M, GLN21M, GLU112M, GLU1H, GLU337H, GLU354H, GLU47H, GLY111M, GLY126M, GLY20H, GLY26H, GLY41M, GLY49M, GLY56H, GLY60H, GLY64H, GLY79M, GLY7H, GLY84M, HIS118M, HIS25H, HIS28M, HIS61H, ILE121M, ILE20M, ILE35M, LEU107H, LEU339H, LEU355H, LEU43M, LEU51M, LEU59H, LEU63H, LYS2H, LYS357H, LYS4H, PHE101H, PHE106H, PHE79H, PRO103H, PRO108H, PRO123M, PRO27H, PRO47M, PRO48M, PRO65M, SER122M, SER125M, SER13H, SER18H, SER21H, SER22H, SER351H, SER352H, SER39M, SER3H, SER42M, SER45M, SER51H, SER62H, SER83M, SER8H, THR105H, THR116M, THR44M, THR45H, THR46H, THR50M, THR58H, THR72M, TRP26M, TRP49H, TYR117M, TYR25M, TYR70M, TYR80M, VAL104H, VAL124M, VAL338H, VAL353H, VAL50H, VAL52M, VAL57H, VAL5H, VAL82M
• H-A: ALA147H, ALA165H, ALA59A, ARG99A, CYS167H, CYS92A, GLY144H, HIS56A, HIS91A, HIS95A, LEU142H, MET98A, PHE120H, PHE141H, PHE143H, PHE168H, PHE57A, PHE97A, PRO184H, PRO94A, PRO96A, SER145H, SER146H, SER164H, SER166H, THR93A, VAL58A
• H-B: LYS73B, SER18H
• L-J: ALA10J, ALA11J, ALA12J, ALA14J, ALA16J, ALA17J, ALA22L, ALA40L, ALA53L, ALA6J, ALA73L, ALA87L, ALA9J, ARG27L, ARG33J, ARG75L, ARG85L, ASN18L, ASN48J, ASN63L, ASN81L, ASP102J, ASP17L, ASP19J, ASP19L, ASP24J, ASP24L, ASP356J, ASP37L, ASP66L, CYS23J, CYS23L, CYS36L, CYS38L, CYS46L, CYS77L, CYS86L, GLN16L, GLN21L, GLU112L, GLU1J, GLU337J, GLU354J, GLU47J, GLY126L, GLY20J, GLY26J, GLY28J, GLY41L, GLY49L, GLY56J, GLY60J, GLY64J, GLY79L, GLY7J, GLY84L, HIS118L, HIS25J, HIS28L, HIS61J, ILE121L, ILE20L, LEU107J, LEU339J, LEU355J, LEU43L, LEU51L, LEU59J, LEU63J, LYS2J, LYS357J, LYS4J, PHE101J, PHE106J, PHE79J, PRO103J, PRO108J, PRO123L, PRO27J, PRO47L, PRO48L, PRO65L, SER122L, SER125L, SER13J, SER18J, SER21J, SER22J, SER351J, SER352J, SER39L, SER3J, SER42L, SER45L, SER51J, SER62J, SER83L, SER8J, THR105J, THR116L, THR44L, THR45J, THR46J, THR50L, THR58J, THR72L, TRP26L, TRP49J, TYR117L, TYR25L, TYR70L, TYR80L, VAL104J, VAL124L, VAL338J, VAL353J, VAL50J, VAL52L, VAL57J, VAL5J, VAL82L
• L-A: ALA102L, ALA127L, ALA50A, ALA53L, ALA73L, ARG75L, ASN47A, ASN54A, ASN99L, ASP101L, CYS108L, CYS92A, GLU112L, GLU49A, GLY110L, GLY111L, GLY126L, GLY55L, GLY59L, GLY69A, HIS53A, HIS56A, HIS91A, HIS95A, ILE105L, ILE71L, LYS100L, LYS68A, LYS73A, LYS74A, MET28A, MET51A, MET71A, MET72A, MET98A, PHE109L, PHE97A, PRO52A, PRO70A, PRO94A, PRO96A, SER125L, SER54L, SER56L, THR72L, THR93A, TRP107L, TYR70L, TYR98L, VAL124L, VAL52L, VAL58L, VAL97L
• J-M: ALA102M, ALA117J, ALA11M, ALA147J, ALA185J, ALA209J, ALA230J, ALA264J, ALA291J, ALA292J, ALA293J, ALA32M, ALA40J, ALA43J, ALA87M, ALA90J, ARG10M, ARG125J, ARG262J, ARG287J, ARG88J, ARG94J, ASN103M, ASN211J, ASN260J, ASN295J, ASN34M, ASN81M, ASN90M, ASN99M, ASP101M, ASP104M, ASP113M, ASP315J, ASP317J, ASP76M, ASP8M, CYS108M, CYS119M, CYS167J, CYS183J, CYS206J, CYS212J, CYS289J, CYS29M, CYS78M, CYS88M, GLN14M, GLN210J, GLN215J, GLU112M, GLU284J, GLU294J, GLU360J, GLU92M, GLU94M, GLY114M, GLY123J, GLY144J, GLY181J, GLY208J, GLY265J, GLY33M, GLY44J, GLY49M, GLY55M, GLY79M, GLY84M, GLY92J, GLY93M, HIS118M, HIS169J, HIS285J, HIS314J, ILE105M, ILE106M, ILE128J, ILE31M, LEU142J, LEU290J, LEU51M, LEU67J, LEU89M, LEU95M, LYS100M, LYS12M, LYS357J, LYS69M, LYS91J, LYS93J, MET115M, PHE109M, PHE120J, PHE141J, PHE143J, PHE168J, PHE266J, PHE42J, PHE66J, PHE86J, PRO124J, PRO184J, PRO39J, PRO96M, PRO9M, SER120M, SER121J, SER145J, SER166J, SER182J, SER186J, SER213J, SER214J, SER263J, SER286J, SER288J, SER30M, SER316J, SER83M, SER89J, THR116M, THR207J, THR282J, THR45J, THR46J, THR50M, THR84J, THR91M, TRP107M, TRP13M, TRP227J, TYR117M, TYR41J, TYR80M, TYR98M, VAL122J, VAL229J, VAL283J, VAL82M, VAL97M
• J-A: ASP19J, GLY20J, LYS74A, MET72A, SER18J, SER21J
• J-B: ALA147J, ALA148J, ALA165J, ALA59B, ARG99B, CYS167J, CYS92B, GLY144J, HIS56B, HIS91B, HIS95B, LEU142J, MET98B, PHE120J, PHE141J, PHE143J, PHE168J, PHE57B, PHE97B, PRO184J, PRO94B, PRO96B, SER145J, SER146J, SER164J, SER166J, THR93B, VAL58B
• M-B: ALA127M, ALA50B, ALA53M, ALA73M, ARG75M, ASN54B, ASN99M, ASP101M, CYS108M, CYS92B, GLU112M, GLU49B, GLY110M, GLY111M, GLY126M, GLY55M, GLY59M, GLY69B, HIS53B, HIS56B, HIS91B, HIS95B, ILE105M, ILE71M, LYS100M, LYS27B, LYS68B, LYS73B, LYS74B, MET28B, MET51B, MET71B, MET72B, MET98B, PHE109M, PHE97B, PRO52B, PRO70B, PRO94B, PRO96B, SER125M, SER54M, SER56M, SER60M, THR72M, THR93B, TRP107M, TYR70M, TYR98M, VAL124M, VAL52M, VAL58M, VAL97M