3AD8

heterotetrameric sarcosine oxidase from corynebacterium sp. u-96 in complex with pyrrole 2-carboxylate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 336
  • Norm. En. per Res.: -4.5661
• 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	-190.1616	-288.6647	-1055.4	-1534.2262	336	39	31	38635	19	123	131
A-C	-122.7413	-94.5553	-594.258	-811.5546	225	20	6	22483	14	71	86
A-D	-34.1728	-84.8259	-239.287	-358.2856	111	5	2	9088	4	51	27
B-C	0.0	0.0	-0.0366	-0.0366	5	0	0	24	0	3	3
B-D	-47.1619	-26.3266	-341.302	-414.7905	102	13	3	11172	2	29	30
C-D	-16.7086	-48.47	-82.1703	-147.3489	48	8	0	3660	4	9	4

Interface residues

• A-B: ALA119A, ALA125B, ALA176B, ALA180B, ALA210A, ALA215A, ALA249B, ALA297B, ALA306B, ALA307B, ALA308B, ALA316B, ALA318B, ALA497A, ALA500A, ALA517A, ALA551A, ALA559A, ALA560A, ALA562A, ALA573A, ALA57B, ALA62B, ALA78B, ALA79A, ALA83A, ALA884A, ALA887A, ALA888A, ALA894A, ALA896A, ALA910A, ARG117B, ARG121B, ARG122B, ARG155B, ARG181B, ARG218A, ARG233A, ARG240A, ARG295B, ARG317B, ARG322B, ARG387B, ARG390A, ARG487A, ARG496A, ARG510A, ARG550A, ARG564A, ARG566A, ARG574A, ARG63B, ARG80A, ARG819A, ARG856A, ARG860A, ARG865A, ARG868A, ASN126B, ASN129B, ASN13B, ASN149B, ASN14B, ASN153B, ASN193B, ASN518A, ASN863A, ASN86A, ASP113A, ASP115B, ASP117A, ASP152B, ASP173B, ASP209A, ASP333B, ASP395B, ASP493A, ASP519A, ASP571A, ASP591A, ASP670A, ASP75B, ASP830A, ASP832A, ASP84A, ASP862A, GLN192B, GLN248B, GLN274B, GLN294B, GLN304B, GLN389A, GLN391A, GLN486A, GLN489A, GLN503A, GLN520A, GLN594A, GLN829A, GLU116A, GLU118B, GLU124B, GLU234A, GLU253B, GLU256B, GLU279B, GLU302B, GLU303B, GLU310B, GLU386B, GLU389B, GLU506A, GLU52B, GLU568A, GLU590A, GLU6B, GLU813A, GLU82B, GLU861A, GLU87A, GLU885A, GLU898A, GLU904A, GLU9B, GLY108A, GLY110A, GLY114B, GLY130B, GLY206A, GLY278B, GLY28B, GLY293B, GLY296B, GLY325B, GLY326B, GLY391B, GLY499A, GLY501A, GLY521A, GLY54B, GLY563A, GLY567A, GLY58B, GLY593A, GLY59B, GLY78A, GLY79B, GLY828A, GLY833A, GLY886A, GLY899A, GLY905A, GLY942A, HIS111B, HIS123A, HIS125A, HIS172B, HIS174B, HIS238A, HIS259B, HIS267B, HIS269B, HIS276B, HIS299B, HIS319B, HIS385A, HIS392B, HIS507A, HIS7B, HIS816A, HIS81A, HIS909A, ILE120B, ILE147B, ILE154B, ILE190B, ILE236A, ILE268B, ILE301B, ILE314B, ILE394B, ILE508A, ILE75A, ILE826A, ILE85A, LEU106A, LEU109A, LEU112A, LEU113B, LEU11B, LEU214A, LEU247B, LEU250B, LEU254B, LEU280B, LEU311B, LEU321B, LEU33B, LEU379B, LEU393B, LEU495A, LEU561A, LEU569A, LEU56B, LEU570A, LEU575A, LEU73B, LEU74A, LEU883A, LEU889A, LEU90A, LEU924A, LEU944A, LYS127B, LYS171B, LYS277B, LYS509A, LYS522A, LYS588A, LYS596A, LYS83B, LYS869A, LYS86B, LYS926A, LYS937A, MET159B, MET282B, MET305B, MET332B, MET502A, MET55A, MET608A, MET61B, MET672A, MET89A, MET903A, PHE10B, PHE128B, PHE205A, PHE255B, PHE298B, PHE312B, PHE315B, PHE388B, PHE549A, PHE558A, PHE589A, PRO114A, PRO118A, PRO157B, PRO257B, PRO313B, PRO552A, PRO555A, PRO572A, PRO5B, PRO8B, PRO902A, PRO91A, PRO939A, SER107A, SER115A, SER119B, SER207A, SER252B, SER265B, SER504A, SER513A, SER515A, SER557A, SER857A, SER859A, SER88A, SER897A, THR112B, THR323B, THR390B, THR498A, THR512A, THR516A, THR547A, THR548A, THR554A, THR565A, THR76A, THR812A, THR831A, THR834A, THR901A, THR908A, THR938A, TRP12B, TRP177B, TRP324B, TRP55B, TRP595A, TRP599A, TRP74B, TRP906A, TYR120A, TYR121A, TYR156B, TYR208A, TYR212A, TYR289B, TYR511A, TYR553A, TYR56A, TYR600A, TYR911A, TYR97B, VAL111A, VAL116B, VAL123B, VAL131B, VAL221A, VAL251B, VAL258B, VAL270B, VAL272B, VAL281B, VAL309B, VAL320B, VAL505A, VAL556A, VAL592A, VAL77A, VAL827A, VAL835A, VAL864A, VAL890A, VAL900A, VAL907A, VAL940A, VAL945A
• A-C: ALA117C, ALA12C, ALA130C, ALA139C, ALA13C, ALA151A, ALA157C, ALA177C, ALA190C, ALA196C, ALA197C, ALA200C, ALA36C, ALA45C, ALA562A, ALA573A, ALA577A, ALA641A, ALA683A, ALA696A, ALA697A, ALA726A, ALA788A, ARG119C, ARG134C, ARG144C, ARG152A, ARG176C, ARG201A, ARG218A, ARG219A, ARG233A, ARG235A, ARG240A, ARG28C, ARG44C, ARG564A, ARG566A, ARG574A, ARG637A, ARG686A, ARG770A, ARG8C, ARG9C, ASN118C, ASN158C, ASP114C, ASP122A, ASP129A, ASP140C, ASP189C, ASP224A, ASP571A, ASP640A, ASP685A, ASP715A, ASP764A, ASP797A, ASP85C, CYS137C, CYS718A, GLN102C, GLN107C, GLN111C, GLN217A, GLN229A, GLN40C, GLN594A, GLN6C, GLN708A, GLN724A, GLN793A, GLU108C, GLU145C, GLU181C, GLU193C, GLU194A, GLU195A, GLU198C, GLU34C, GLU568A, GLU635A, GLU684A, GLU704A, GLU723A, GLU768A, GLU796A, GLU86C, GLU93C, GLY106C, GLY110C, GLY150A, GLY225A, GLY228A, GLY230A, GLY42C, GLY51C, GLY563A, GLY632A, GLY638A, GLY766A, GLY791A, HIS123A, HIS125A, HIS127A, HIS142C, HIS14C, HIS182C, HIS185C, HIS222A, HIS238A, HIS579A, HIS790A, ILE159C, ILE188C, ILE236A, ILE634A, ILE636A, ILE767A, ILE786A, LEU105C, LEU113C, LEU115C, LEU131C, LEU133C, LEU141C, LEU15C, LEU187C, LEU199A, LEU223A, LEU41C, LEU43C, LEU55C, LEU569A, LEU570A, LEU575A, LEU583A, LEU631A, LEU682A, LEU688A, LEU700A, LEU707A, LEU714A, LEU725A, LEU763A, LEU792A, LEU7C, LEU82C, LEU88C, LEU98C, LYS135C, LYS242A, LYS596A, LYS633A, LYS639A, MET154A, MET191C, MET578A, PHE146C, PHE179C, PHE194C, PHE37C, PHE444A, PHE687A, PRO109C, PRO11C, PRO138C, PRO143C, PRO160C, PRO175C, PRO226A, PRO572A, PRO580A, PRO787A, PRO84C, SER10C, SER116C, SER120C, SER136C, SER149A, SER178C, SER192C, SER195C, SER227A, SER232A, SER629A, SER720A, SER765A, THR128A, THR180C, THR183C, THR196A, THR197A, THR220A, THR38C, THR39C, THR565A, THR576A, THR630A, THR717A, THR719A, THR722A, TRP186C, TRP237A, TRP581A, TRP595A, TRP789A, TYR120A, TYR121A, TYR212A, VAL112C, VAL121C, VAL124A, VAL126A, VAL132C, VAL153A, VAL184C, VAL199C, VAL221A, VAL231A, VAL35C, VAL46C, VAL716A, VAL721A, VAL794A
• A-D: ALA210A, ALA23D, ALA241A, ALA26D, ALA33D, ALA410A, ALA669A, ALA697A, ALA84D, ARG12D, ARG240A, ARG390A, ARG46D, ARG56D, ARG647A, ARG64D, ARG71D, ARG856A, ARG860A, ASN13D, ASN15D, ASN211A, ASN32D, ASN68D, ASN863A, ASN8D, ASP209A, ASP30D, ASP36D, ASP670A, ASP698A, ASP701A, ASP851A, ASP862A, CYS63D, CYS718A, GLN391A, GLN708A, GLU14D, GLU29D, GLU38D, GLU704A, GLU705A, GLU710A, GLU77D, GLU861A, GLY20D, GLY671A, GLY854A, GLY85D, HIS125A, HIS127A, HIS238A, HIS24D, HIS59D, ILE213A, ILE4D, ILE634A, LEU214A, LEU34D, LEU3D, LEU43D, LEU700A, LEU703A, LEU707A, LYS18D, LYS242A, LYS37D, LYS65D, LYS668A, LYS855A, MET1D, MET2D, MET648A, MET672A, PHE44D, PHE67D, PHE78D, PHE852A, PHE858A, PRO11D, PRO28D, PRO31D, PRO712A, SER207A, SER35D, SER40D, SER60D, SER720A, SER75D, SER857A, SER859A, THR709A, THR717A, THR719A, TRP39D, TRP57D, TRP66D, TRP702A, TRP706A, TRP711A, TYR208A, TYR212A, TYR27D, TYR42D, TYR76D, VAL25D, VAL58D, VAL74D, VAL853A, VAL864A
• B-C: ALA306B, ARG155B, ASN158C, GLU303B, HIS182C
• B-D: ALA226B, ALA233B, ALA23D, ALA297B, ALA384B, ALA54D, ARG295B, ARG387B, ARG41D, ARG46D, ARG56D, ARG71D, ASN13D, ASN15D, ASN290B, ASN48D, ASP287B, ASP329B, ASP333B, ASP36D, ASP72D, GLN243B, GLN248B, GLN294B, GLU14D, GLU16D, GLU195B, GLU22D, GLU234B, GLU239B, GLU302B, GLU303B, GLU386B, GLU389B, GLU38D, GLU55D, GLU77D, GLY20D, GLY21D, GLY227B, GLY291B, GLY293B, GLY296B, GLY325B, GLY326B, GLY391B, GLY47D, GLY51D, HIS228B, HIS245B, HIS299B, HIS392B, ILE242B, ILE327B, ILE337B, ILE4D, LEU232B, LEU240B, LEU247B, LEU385B, LEU393B, LEU43D, LYS18D, LYS37D, LYS49D, LYS50D, LYS53B, MET1D, MET2D, MET332B, PHE17D, PHE238B, PHE298B, PHE388B, PHE44D, PHE53D, PHE78D, PRO241B, PRO246B, PRO342B, SER229B, SER230B, SER244B, SER288B, SER35D, SER40D, SER75D, THR330B, THR331B, THR390B, THR73D, TRP39D, TRP57D, TYR19D, TYR289B, TYR292B, TYR45D, TYR76D, VAL231B, VAL300B, VAL328B, VAL74D
• C-D: ALA139C, ALA151C, ALA45C, ALA66C, ARG119C, ARG12D, ARG44C, ARG64D, ARG83D, ASN13D, ASN158C, ASN15D, ASN8D, ASP140C, ASP85C, CYS137C, CYS63D, CYS6D, CYS9D, GLU16D, GLU86C, GLY10D, GLY61D, GLY62D, GLY68C, GLY83C, HIS59D, ILE152C, LEU115C, LEU162C, LEU82C, LYS65D, MET1D, PHE146C, PRO11D, PRO138C, PRO160C, PRO47C, PRO7D, PRO84C, SER155C, SER60D, THR153C, THR154C, TRP81C, VAL161C, VAL46C, VAL67C