2GAG

heteroteterameric sarcosine: structure of a diflavin metaloenzyme at 1.85 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 343
  • Norm. En. per Res.: -4.4622
• 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	-177.4062	-296.9819	-1056.14	-1530.5281	343	38	32	39840	19	115	134
A-C	-126.0755	-87.2295	-568.849	-782.154	205	26	5	21129	15	66	82
A-D	-41.5994	-94.1966	-259.723	-395.519	111	10	2	9754	5	43	27
B-C	0.0	0.0	-0.0538	-0.0538	5	0	0	24	0	2	2
B-D	-57.433	-45.0558	-334.327	-436.8158	105	17	3	11469	4	29	26
C-D	-13.8877	-46.305	-84.6664	-144.859	47	3	1	3740	4	8	8

Interface residues

• A-B: ALA120A, ALA126B, ALA14B, ALA177B, ALA181B, ALA211A, ALA250B, ALA298B, ALA307B, ALA308B, ALA309B, ALA317B, ALA319B, ALA498A, ALA501A, ALA518A, ALA552A, ALA558A, ALA560A, ALA561A, ALA563A, ALA574A, ALA58B, ALA63B, ALA79B, ALA80A, ALA862A, ALA865A, ALA888A, ALA889A, ALA892A, ALA895A, ALA897A, ARG118B, ARG122B, ARG123B, ARG156B, ARG182B, ARG219A, ARG234A, ARG241A, ARG296B, ARG318B, ARG323B, ARG388B, ARG391A, ARG488A, ARG497A, ARG511A, ARG551A, ARG565A, ARG567A, ARG575A, ARG64B, ARG81A, ARG820A, ARG857A, ARG861A, ARG866A, ARG869A, ASN127B, ASN130B, ASN150B, ASN15B, ASN185B, ASN194B, ASN519A, ASN566A, ASN864A, ASP114A, ASP118A, ASP153B, ASP154B, ASP174B, ASP210A, ASP334B, ASP396B, ASP3B, ASP489A, ASP494A, ASP520A, ASP569A, ASP572A, ASP592A, ASP59A, ASP671A, ASP76B, ASP831A, ASP833A, ASP85A, ASP863A, ASP868A, ASP87A, ASP943A, GLN193B, GLN249B, GLN275B, GLN295B, GLN303B, GLN305B, GLN390A, GLN392A, GLN487A, GLN490A, GLN521A, GLN570A, GLN595A, GLN830A, GLN84A, GLU10B, GLU119B, GLU125B, GLU235A, GLU254B, GLU257B, GLU280B, GLU304B, GLU311B, GLU390B, GLU507A, GLU53B, GLU591A, GLU7B, GLU814A, GLU83B, GLU886A, GLU88A, GLU899A, GLU905A, GLY109A, GLY111A, GLY115B, GLY131B, GLY207A, GLY279B, GLY294B, GLY297B, GLY29B, GLY326B, GLY327B, GLY392B, GLY500A, GLY502A, GLY522A, GLY55B, GLY564A, GLY568A, GLY594A, GLY59B, GLY60B, GLY80B, GLY829A, GLY834A, GLY887A, GLY900A, GLY906A, GLY942A, HIS112B, HIS124A, HIS126A, HIS173B, HIS175B, HIS239A, HIS260B, HIS268B, HIS270B, HIS277B, HIS300B, HIS320B, HIS386A, HIS393B, HIS398B, HIS508A, HIS817A, HIS82A, HIS8B, ILE148B, ILE155B, ILE191B, ILE215A, ILE237A, ILE269B, ILE302B, ILE315B, ILE395B, ILE509A, ILE576A, ILE827A, ILE86A, ILE901A, LEU107A, LEU110A, LEU113A, LEU114B, LEU129B, LEU12B, LEU248B, LEU251B, LEU255B, LEU281B, LEU312B, LEU322B, LEU34B, LEU380B, LEU394B, LEU496A, LEU4B, LEU562A, LEU56A, LEU571A, LEU57B, LEU58A, LEU5B, LEU74B, LEU75A, LEU884A, LEU890A, LEU91A, LEU925A, LEU945A, LYS117A, LYS128B, LYS172B, LYS278B, LYS480A, LYS504A, LYS510A, LYS523A, LYS597A, LYS870A, LYS87B, LYS927A, LYS938A, MET160B, MET283B, MET306B, MET333B, MET503A, MET609A, MET62B, MET673A, MET904A, MET90A, PHE11B, PHE206A, PHE256B, PHE299B, PHE313B, PHE316B, PHE389B, PHE550A, PHE559A, PHE590A, PRO115A, PRO119A, PRO158B, PRO258B, PRO314B, PRO553A, PRO556A, PRO573A, PRO6B, PRO885A, PRO903A, PRO92A, PRO940A, PRO9B, SER108A, SER120B, SER208A, SER253B, SER505A, SER514A, SER516A, SER55A, SER79A, SER858A, SER898A, SER89A, SER910A, SER911A, THR113B, THR116A, THR221A, THR324B, THR391B, THR499A, THR513A, THR517A, THR548A, THR549A, THR555A, THR77A, THR813A, THR832A, THR835A, THR902A, THR909A, THR939A, TRP13B, TRP178B, TRP325B, TRP56B, TRP596A, TRP600A, TRP75B, TRP907A, TYR121A, TYR122A, TYR157B, TYR209A, TYR213A, TYR290B, TYR512A, TYR554A, TYR57A, TYR601A, TYR912A, TYR98B, VAL112A, VAL117B, VAL121B, VAL124B, VAL125A, VAL132B, VAL222A, VAL252B, VAL259B, VAL271B, VAL273B, VAL282B, VAL310B, VAL321B, VAL506A, VAL557A, VAL593A, VAL76A, VAL78A, VAL828A, VAL836A, VAL891A, VAL908A, VAL941A
• A-C: ALA110C, ALA119C, ALA141C, ALA147C, ALA152A, ALA159C, ALA16C, ALA179C, ALA192C, ALA197C, ALA38C, ALA53C, ALA574A, ALA578A, ALA642A, ALA697A, ALA698A, ALA727A, ALA789A, ALA85C, ARG121C, ARG12C, ARG136C, ARG146C, ARG153A, ARG178C, ARG220A, ARG236A, ARG241A, ARG46C, ARG565A, ARG567A, ARG575A, ARG638A, ARG687A, ARG794A, ASN120C, ASN160C, ASN566A, ASN96C, ASP109C, ASP116C, ASP123A, ASP130A, ASP142C, ASP191C, ASP569A, ASP572A, ASP641A, ASP686A, ASP716A, ASP765A, ASP798A, ASP87C, CYS139C, CYS47C, CYS719A, GLN113C, GLN218A, GLN42C, GLN570A, GLN595A, GLN709A, GLN725A, GLU17C, GLU183C, GLU195A, GLU195C, GLU196A, GLU36C, GLU636A, GLU705A, GLU724A, GLU769A, GLU797A, GLU88C, GLU95C, GLY108C, GLY112C, GLY151A, GLY229A, GLY231A, GLY633A, GLY639A, GLY767A, GLY792A, HIS124A, HIS126A, HIS128A, HIS13C, HIS144C, HIS184C, HIS187C, HIS18C, HIS239A, HIS580A, HIS791A, ILE161C, ILE237A, ILE37C, ILE43C, ILE576A, ILE635A, ILE637A, ILE768A, LEU107C, LEU117C, LEU11C, LEU133C, LEU135C, LEU143C, LEU189C, LEU19C, LEU200A, LEU45C, LEU571A, LEU57C, LEU584A, LEU632A, LEU683A, LEU689A, LEU701A, LEU708A, LEU715A, LEU726A, LEU764A, LEU793A, LEU90C, LYS137C, LYS243A, LYS597A, LYS634A, LYS640A, MET155A, MET193C, MET579A, PHE148C, PHE181C, PHE196C, PHE39C, PHE445A, PHE688A, PRO10C, PRO111C, PRO132C, PRO140C, PRO145C, PRO15C, PRO162C, PRO177C, PRO230A, PRO573A, PRO788A, SER104C, SER118C, SER122C, SER138C, SER14C, SER150A, SER180C, SER194C, SER198C, SER228A, SER233A, SER44C, SER581A, SER721A, SER766A, THR129A, THR182C, THR185C, THR197A, THR198A, THR40C, THR41C, THR577A, THR630A, THR631A, THR718A, THR720A, THR723A, THR97C, THR9C, TRP188C, TRP238A, TRP596A, TRP790A, TYR121A, TYR122A, TYR213A, VAL114C, VAL115C, VAL123C, VAL125A, VAL127A, VAL134C, VAL154A, VAL158C, VAL186C, VAL190C, VAL232A, VAL717A, VAL722A, VAL787A, VAL795A
• A-D: ALA211A, ALA23D, ALA242A, ALA26D, ALA29D, ALA33D, ALA411A, ALA60D, ALA670A, ALA698A, ALA84D, ALA862A, ARG12D, ARG241A, ARG391A, ARG46D, ARG56D, ARG648A, ARG64D, ARG71D, ARG857A, ARG861A, ASN13D, ASN15D, ASN212A, ASN68D, ASN856A, ASP210A, ASP30D, ASP36D, ASP671A, ASP699A, ASP702A, ASP852A, ASP863A, CYS63D, CYS719A, GLN38D, GLN392A, GLN709A, GLU14D, GLU705A, GLU706A, GLU711A, GLU77D, GLY20D, GLY672A, GLY855A, GLY85D, HIS126A, HIS128A, HIS239A, HIS24D, HIS32D, HIS59D, ILE215A, ILE240A, ILE4D, ILE635A, ILE649A, ILE854A, LEU214A, LEU34D, LEU3D, LEU43D, LEU701A, LEU704A, LEU708A, LYS18D, LYS243A, LYS37D, LYS394A, LYS65D, LYS669A, LYS851A, MET1D, MET2D, MET673A, PHE44D, PHE67D, PHE78D, PHE853A, PRO11D, PRO28D, PRO31D, PRO713A, SER208A, SER35D, SER40D, SER721A, SER858A, SER860A, THR710A, THR718A, THR720A, THR75D, TRP39D, TRP57D, TRP66D, TRP703A, TRP707A, TRP712A, TYR209A, TYR213A, TYR27D, TYR42D, TYR76D, TYR859A, VAL25D, VAL58D, VAL74D
• B-C: ARG156B, ASN160C, GLN303B, GLU304B, HIS184C
• B-D: ALA227B, ALA234B, ALA298B, ALA54D, ARG296B, ARG388B, ARG41D, ARG46D, ARG56D, ARG71D, ASN13D, ASN15D, ASN291B, ASN48D, ASP288B, ASP330B, ASP334B, ASP36D, ASP396B, ASP72D, GLN244B, GLN249B, GLN295B, GLN303B, GLN38D, GLN47D, GLU14D, GLU16D, GLU196B, GLU22D, GLU235B, GLU240B, GLU304B, GLU387B, GLU390B, GLU55D, GLU77D, GLY20D, GLY21D, GLY228B, GLY292B, GLY294B, GLY297B, GLY326B, GLY327B, GLY392B, GLY51D, HIS229B, HIS246B, HIS300B, HIS393B, HIS398B, ILE243B, ILE328B, ILE338B, ILE4D, LEU233B, LEU241B, LEU248B, LEU386B, LEU394B, LEU43D, LYS18D, LYS37D, LYS49D, LYS50D, LYS54B, MET1D, MET236B, MET2D, MET333B, PHE17D, PHE239B, PHE299B, PHE389B, PHE44D, PHE53D, PHE78D, PRO242B, PRO247B, PRO343B, SER230B, SER231B, SER245B, SER289B, SER35D, SER385B, SER40D, THR331B, THR332B, THR391B, THR73D, THR75D, TRP39D, TRP57D, TYR19D, TYR290B, TYR293B, TYR42D, TYR45D, TYR76D, VAL232B, VAL301B, VAL329B, VAL74D
• C-D: ALA141C, ALA153C, ALA48C, ALA60D, ALA61D, ALA85C, ARG121C, ARG12D, ARG46C, ARG64D, ASN13D, ASN15D, ASN160C, ASN8D, ASP142C, ASP87C, CYS139C, CYS47C, CYS63D, CYS6D, CYS9D, GLU16D, GLU88C, GLY10D, GLY62D, GLY70C, HIS59D, ILE154C, LEU117C, LEU164C, LEU84C, LYS65D, LYS68C, MET1D, PHE148C, PRO11D, PRO140C, PRO162C, PRO7D, PRO86C, SER157C, SER44C, THR156C, TRP83C, VAL155C, VAL163C, VAL69C