2J56

x-ray reduced paraccocus denitrificans methylamine dehydrogenase n-semiquinone in complex with amicyanin.

• Total interactions analyzed: 15
• Total true interactions: 11
• Strongest Interaction:
  • Chains: H-L
  • Int. Res.: 148
  • Norm. En. per Res.: -5.2831
• 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-H	-15.9787	-43.5856	-73.5518	-133.116	35	3	0	2684	4	12	8
A-J	-6.8007	-7.0802	-5.4381	-19.319	7	0	0	287	2	6	2
A-L	-3.3592	-23.9189	-113.174	-140.4521	62	2	3	5232	1	15	14
B-H	0.0	-8.7837	-2.0304	-10.8141	6	0	0	148	1	5	2
B-J	-30.5632	-54.3531	-29.3177	-114.234	34	10	0	2778	4	15	7
B-M	0.0	-10.0459	-106.355	-116.4009	59	2	2	4869	0	15	13
H-J	-25.9304	-82.1431	-140.855	-248.9285	82	6	7	6426	10	24	21
H-L	-157.0983	-98.7134	-526.081	-781.8927	148	16	11	19166	15	57	46
H-M	-100.4634	-57.8102	-408.189	-566.4626	129	12	8	15410	5	28	19
J-L	-132.138	-72.6388	-385.207	-589.9838	128	16	8	14934	4	26	16
J-M	-155.3116	-92.9758	-530.839	-779.1265	149	25	11	19297	13	57	50

Interface residues

• A-H: ALA159H, ALA59A, ALA66A, ARG197H, ARG99A, ASP177H, ASP180H, CYS181H, CYS92A, GLN155H, HIS53A, HIS56A, HIS91A, HIS95A, LYS27A, LYS29A, LYS68A, MET28A, MET51A, MET98A, PHE133H, PHE156H, PHE57A, PHE97A, PRO158H, PRO160H, PRO179H, PRO94A, PRO96A, SER157H, THR93A, TYR154H, TYR182H, VAL178H, VAL58A
• A-J: ASP31J, ASP32J, GLN76A, GLU33J, LYS73A, PRO10A, PRO34J
• A-L: ALA103L, ALA112L, ALA116L, ALA130L, ALA50A, ALA53L, ALA55L, ALA59L, ALA66A, ALA73L, ARG75L, ARG99L, ASN47A, ASN54A, ASP114L, ASP115L, CYS109L, CYS92A, GLU101L, GLU113L, GLU49A, GLY111L, GLY128L, GLY69A, HIS53A, HIS56A, HIS91A, HIS95A, ILE106L, ILE126L, ILE72L, LEU71L, LYS129L, LYS68A, LYS73A, LYS74A, MET117L, MET28A, MET51A, MET71A, MET72A, MET98A, PHE102L, PHE110L, PHE97A, PRO100L, PRO125L, PRO52A, PRO70A, PRO94A, PRO96A, SER56L, SER60L, THR54L, THR93A, TRP108L, TYR70L, TYR74L, TYR98L, VAL127L, VAL58L, VAL97L
• B-H: ASP31H, ASP32H, GLN76B, GLU33H, LYS73B, PRO34H
• B-J: ALA159J, ALA161J, ALA59B, ARG197J, ARG99B, ASP177J, ASP180J, ASP198J, CYS181J, CYS92B, GLN155J, HIS53B, HIS56B, HIS91B, HIS95B, LYS27B, LYS29B, MET28B, MET51B, MET98B, PHE133J, PHE156J, PHE97B, PRO158J, PRO160J, PRO179J, PRO94B, PRO96B, SER157J, THR93B, TYR154J, TYR182J, VAL178J, VAL58B
• B-M: ALA103M, ALA112M, ALA130M, ALA50B, ALA53M, ALA55M, ALA59M, ALA66B, ALA73M, ARG75M, ARG99M, ASN47B, ASN54B, ASP115M, CYS109M, CYS92B, GLU101M, GLU113M, GLU49B, GLY111M, GLY128M, GLY69B, HIS53B, HIS56B, HIS91B, HIS95B, ILE106M, ILE126M, ILE72M, LEU52M, LEU71M, LYS129M, LYS68B, LYS73B, LYS74B, MET28B, MET51B, MET71B, MET72B, MET98B, PHE102M, PHE110M, PHE97B, PRO100M, PRO125M, PRO52B, PRO70B, PRO94B, PRO96B, SER56M, SER60M, THR54M, THR93B, TRP108M, TYR70M, TYR98M, VAL127M, VAL58M, VAL97M
• H-J: ALA103H, ALA103J, ALA123H, ALA123J, ALA53H, ALA53J, ALA56H, ALA56J, ALA57H, ALA57J, ARG101H, ARG101J, ARG104H, ARG104J, ASP109H, ASP109J, ASP124H, ASP124J, ASP76H, ASP76J, GLN60H, GLN60J, GLU112H, GLU112J, GLU126H, GLU126J, GLY77H, GLY77J, GLY78H, GLY78J, HIS375H, HIS375J, HIS54H, HIS54J, HIS94H, HIS94J, ILE102H, ILE102J, ILE125H, ILE125J, ILE75H, ILE75J, LEU119H, LEU119J, LEU120H, LEU120J, LEU127H, LEU127J, LYS354H, LYS354J, PHE114H, PHE114J, PHE79H, PHE79J, PHE99H, PHE99J, PRO121H, PRO121J, PRO81H, PRO81J, SER100H, SER100J, SER96H, SER96J, THR108H, THR108J, THR122H, THR122J, THR59H, THR59J, THR97H, THR97J, TYR110H, TYR110J, VAL111H, VAL111J, VAL113H, VAL113J, VAL58H, VAL58J, VAL98H, VAL98J
• H-L: ALA103H, ALA103L, ALA116L, ALA11L, ALA130H, ALA309H, ALA53H, ALA55L, ALA56H, ALA57H, ARG101H, ARG104H, ARG107H, ARG10L, ARG132H, ARG197H, ARG278H, ARG301H, ARG305H, ARG311H, ARG99L, ASN104L, ASN229H, ASN34L, ASN81L, ASN90L, ASP105L, ASP114L, ASP115L, ASP180H, ASP198H, ASP224H, ASP24L, ASP299H, ASP302H, ASP32L, ASP334H, ASP76L, ASP8L, CYS109L, CYS121L, CYS181H, CYS196H, CYS23L, CYS29L, CYS78L, CYS88L, GLN155H, GLN300H, GLN378H, GLU101L, GLU106H, GLU223H, GLU225H, GLU303H, GLU332H, GLU92L, GLU94L, GLY105H, GLY111L, GLY136H, GLY199H, GLY276H, GLY280H, GLY281H, GLY33L, GLY49L, GLY79L, GLY84L, GLY93L, HIS120L, HIS183H, HIS195H, HIS221H, HIS230H, HIS306H, HIS331H, HIS375H, HIS54H, ILE102H, ILE106L, ILE107L, ILE228H, ILE31L, ILE333H, LEU134H, LEU227H, LEU80H, LEU89L, LEU95L, LYS12L, LYS307H, LYS51L, MET117L, MET141H, PHE102L, PHE110L, PHE133H, PHE156H, PHE226H, PHE312H, PHE55H, PHE79H, PHE99H, PRO100L, PRO158H, PRO222H, PRO231H, PRO243H, PRO279H, PRO52H, PRO87L, PRO96L, PRO9L, SER157H, SER30L, SER310H, SER83L, THR118L, THR122L, THR137H, THR244H, THR308H, THR351H, THR50L, THR7L, THR91L, THR97H, TRP108L, TRP13L, TRP242H, TRP277H, TRP282H, TRP304H, TYR119L, TYR138H, TYR154H, TYR182H, TYR245H, TYR80L, TYR98L, VAL135H, VAL14L, VAL298H, VAL58H, VAL82L, VAL97L, VAL98H
• H-M: ALA112M, ALA17H, ALA18H, ALA19H, ALA21H, ALA22H, ALA22M, ALA23H, ALA24H, ALA27H, ALA39H, ALA53H, ALA53M, ALA56H, ALA57H, ALA73M, ARG20H, ARG27M, ARG35H, ARG46H, ARG70H, ARG75M, ARG85M, ASN18M, ASN34M, ASN371H, ASN45M, ASN63M, ASN81M, ASP114M, ASP115H, ASP17M, ASP19M, ASP25H, ASP31H, ASP32H, ASP37M, ASP66M, ASP76H, CYS36M, CYS38M, CYS46M, CYS77M, CYS78M, CYS86M, GLN14H, GLN16H, GLN16M, GLN21M, GLN30H, GLN372H, GLN60H, GLN61H, GLN68M, GLU113M, GLU12H, GLU33H, GLU38H, GLY128M, GLY15H, GLY29H, GLY374H, GLY40M, GLY41M, GLY49M, GLY69H, GLY73H, GLY77H, GLY79M, GLY84M, HIS120M, HIS375H, ILE123M, ILE126M, ILE20M, ILE35M, ILE36H, ILE64H, ILE72H, ILE72M, ILE75H, LEU119H, LEU120H, LEU26H, LEU356H, LEU373H, LEU37H, LEU43M, LEU52M, LYS129M, LYS354H, LYS51M, MET74H, PHE114H, PHE62H, PRO116H, PRO121H, PRO125M, PRO34H, PRO40H, PRO47M, PRO48M, PRO87M, SER124M, SER369H, SER39M, SER42M, SER83M, THR118H, THR118M, THR13H, THR355H, THR44M, THR50M, THR54M, THR59H, THR65M, TRP26M, TYR119M, TYR25M, TYR70M, TYR80M, VAL117H, VAL127M, VAL370H, VAL58H, VAL63H, VAL71H, VAL82M
• J-L: ALA112L, ALA17J, ALA18J, ALA19J, ALA21J, ALA22J, ALA22L, ALA23J, ALA24J, ALA27J, ALA39J, ALA53L, ALA56J, ALA73L, ARG20J, ARG27L, ARG35J, ARG46J, ARG70J, ARG75L, ARG85L, ASN18L, ASN34L, ASN371J, ASN45L, ASN63L, ASN81L, ASP114L, ASP115J, ASP17L, ASP19L, ASP25J, ASP31J, ASP32J, ASP37L, ASP66L, ASP76J, CYS36L, CYS38L, CYS46L, CYS77L, CYS78L, CYS86L, GLN14J, GLN16J, GLN16L, GLN21L, GLN30J, GLN372J, GLN60J, GLN61J, GLN68L, GLU113L, GLU12J, GLU33J, GLU38J, GLY128L, GLY15J, GLY29J, GLY374J, GLY40L, GLY41L, GLY49L, GLY69J, GLY73J, GLY77J, GLY79L, GLY84L, HIS120L, HIS375J, ILE123L, ILE126L, ILE20L, ILE35L, ILE36J, ILE64J, ILE72J, ILE72L, ILE75J, ILE92J, LEU119J, LEU120J, LEU26J, LEU356J, LEU373J, LEU37J, LEU43L, LEU52L, LYS129L, LYS354J, LYS51L, MET74J, PHE114J, PHE62J, PRO116J, PRO121J, PRO125L, PRO34J, PRO40J, PRO47L, PRO48L, PRO87L, SER124L, SER369J, SER39L, SER42L, SER83L, THR118J, THR118L, THR13J, THR355J, THR44L, THR50L, THR54L, THR59J, THR65L, TRP26L, TYR119L, TYR25L, TYR70L, TYR80L, VAL117J, VAL127L, VAL370J, VAL58J, VAL63J, VAL71J, VAL82L
• J-M: ALA103J, ALA103M, ALA116M, ALA11M, ALA130J, ALA309J, ALA53J, ALA55M, ALA56J, ALA57J, ARG101J, ARG104J, ARG107J, ARG10M, ARG132J, ARG197J, ARG278J, ARG301J, ARG305J, ARG311J, ARG99M, ASN104M, ASN229J, ASN34M, ASN81M, ASN90M, ASP105M, ASP114M, ASP115M, ASP180J, ASP198J, ASP224J, ASP24M, ASP299J, ASP302J, ASP32M, ASP334J, ASP76M, ASP8M, CYS109M, CYS121M, CYS181J, CYS196J, CYS23M, CYS29M, CYS78M, CYS88M, GLN155J, GLN300J, GLN378J, GLU101M, GLU106J, GLU223J, GLU225J, GLU303J, GLU332J, GLU92M, GLU94M, GLY105J, GLY111M, GLY136J, GLY199J, GLY276J, GLY280J, GLY281J, GLY33M, GLY49M, GLY79M, GLY84M, GLY93M, HIS120M, HIS183J, HIS195J, HIS221J, HIS230J, HIS28M, HIS306J, HIS331J, HIS375J, HIS54J, ILE102J, ILE106M, ILE107M, ILE228J, ILE31M, ILE333J, LEU134J, LEU227J, LEU297J, LEU80J, LEU89M, LEU95M, LYS12M, LYS307J, LYS51M, MET117M, MET141J, PHE102M, PHE110M, PHE133J, PHE156J, PHE226J, PHE312J, PHE55J, PHE79J, PHE99J, PRO100M, PRO158J, PRO222J, PRO231J, PRO243J, PRO52J, PRO87M, PRO96M, PRO9M, SER157J, SER30M, SER310J, SER83M, THR118M, THR122M, THR137J, THR244J, THR308J, THR351J, THR50M, THR7M, THR91M, THR97J, TRP108M, TRP13M, TRP242J, TRP277J, TRP282J, TRP304J, TYR119M, TYR138J, TYR154J, TYR182J, TYR245J, TYR80M, TYR98M, VAL135J, VAL14M, VAL298J, VAL58J, VAL82M, VAL97M, VAL98J