3I3B

e.coli (lacz) beta-galactosidase (m542a) in complex with d- galactopyranosyl-1-on

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 216
  • Norm. En. per Res.: -3.5692
• 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	-88.1112	-18.5825	-477.271	-583.9647	222	18	12	19601	4	70	65
A-C	-30.8624	18.5277	-22.5308	-34.8655	14	2	0	647	1	11	12
A-D	-70.8572	-129.4287	-562.108	-762.3938	221	17	10	22942	16	85	98
B-C	-81.2518	-126.9791	-562.718	-770.9489	216	15	10	23038	16	88	97
B-D	-36.577	23.394	-21.8194	-35.0024	15	2	0	650	0	11	11
C-D	-64.4127	-15.4975	-474.609	-554.5192	222	16	12	19843	4	66	64

Interface residues

• A-B: ALA1011A, ALA1011B, ALA555A, ALA555B, ALA691A, ALA691B, ALA723A, ALA723B, ALA821A, ALA821B, ALA827A, ALA827B, ALA831A, ALA831B, ALA833A, ALA833B, ALA839A, ALA839B, ALA841A, ALA841B, ALA873A, ALA873B, ARG1013A, ARG1013B, ARG505A, ARG505B, ARG531A, ARG531B, ARG557A, ARG557B, ARG561A, ARG561B, ARG630A, ARG630B, ARG721A, ARG721B, ARG853A, ARG853B, ARG857A, ARG857B, ARG942A, ARG942B, ASN339A, ASN339B, ASN725A, ASN725B, ASP507A, ASP507B, ASP509A, ASP509B, ASP828A, ASP828B, ASP832A, ASP832B, ASP869A, ASP869B, ASP875A, ASP875B, ASP954A, ASP954B, CYS825A, CYS825B, GLN1017A, GLN1017B, GLN510A, GLN510B, GLN554A, GLN554B, GLN558A, GLN558B, GLN563A, GLN693A, GLN693B, GLN824A, GLN824B, GLN843A, GLN843B, GLU1006A, GLU1006B, GLU338A, GLU338B, GLU508A, GLU508B, GLU529A, GLU529B, GLU724A, GLU724B, GLU871A, GLU871B, GLY1012A, GLY1012B, GLY340A, GLY340B, GLY528A, GLY528B, GLY692A, GLY692B, GLY846A, GLY846B, GLY940A, GLY940B, GLY953A, GLY953B, HIS1015A, HIS1015B, HIS840A, HIS840B, HIS878A, HIS878B, ILE520A, ILE520B, ILE851A, ILE851B, LEU341A, LEU341B, LEU343A, LEU343B, LEU524A, LEU524B, LEU526A, LEU526B, LEU562A, LEU562B, LEU694A, LEU694B, LEU722A, LEU722B, LEU726A, LEU726B, LEU730A, LEU730B, LEU822A, LEU822B, LEU823A, LEU823B, LEU830A, LEU830B, LEU835A, LEU835B, LEU849A, LEU849B, LYS521A, LYS521B, LYS522A, LYS522B, LYS847A, LYS847B, PHE850A, PHE850B, PHE915A, PHE915B, PHE955A, PHE955B, PHE989A, PHE989B, PRO348A, PRO348B, PRO511A, PRO511B, PRO527A, PRO527B, PRO532A, PRO532B, PRO560A, PRO560B, PRO731A, PRO731B, SER1010A, SER1010B, SER519A, SER519B, SER525A, SER525B, SER727A, SER727B, SER852A, SER852B, SER874A, SER874B, THR530A, THR530B, THR729A, THR729B, THR826A, THR826B, THR829A, THR829B, THR837A, THR837B, THR848A, THR848B, THR855A, THR855B, THR867A, THR867B, THR876A, THR876B, THR941A, TRP518A, TRP518B, TRP523A, TRP523B, TRP695A, TRP695B, TRP842A, TRP842B, TYR1014A, TYR1014B, TYR1016A, TYR1016B, TYR559A, TYR559B, VAL506A, VAL506B, VAL728A, VAL728B, VAL868A, VAL868B, VAL870A, VAL870B, VAL872A, VAL872B
• A-C: ARG237A, ARG237C, ASN232A, ASN232C, ASP233A, ASP233C, ASP234A, ASP234C, PHE231A, PHE231C, PHE235A, PHE235C, SER236A, SER236C
• A-D: 1243CB7.3462, 3243CB9.8182, ALA286A, ALA286D, ALA28A, ALA28D, ALA29A, ALA29D, ALA435A, ALA435D, ALA466A, ALA466D, ALA470A, ALA470D, ALA491A, ALA491D, ALA495A, ALA495D, ALA514A, ALA514D, ARG13A, ARG13A5, ARG13D, ARG14A, ARG14D, ARG26A, ARG26D, ARG282A, ARG282D, ARG288A, ARG288D, ARG425A, ARG425D, ARG431A, ARG431D, ARG442A, ARG442D, ARG473A, ARG473D, ARG800A, ARG800D, ASN102A, ASN102D, ASN18A, ASN18D, ASN25A, ASN25D, ASN424A, ASN424D, ASN467A, ASN467D, ASP15A, ASP15D, ASP199A, ASP199D, ASP280A, ASP280D, ASP287A, ASP287D, ASP428A, ASP428D, ASP429A, ASP429D, ASP469A, ASP469D, ASP479A, ASP479D, CYS247A, CYS247D, GLN23A, GLN23D, GLN245A, GLN245D, GLN445A, GLN445D, GLU170A, GLU170D, GLU243D, GLU277A, GLU277D, GLU281A, GLU281D, GLU438A, GLU438D, GLU461A, GLU461D, GLU487A, GLU487D, GLU797A, GLU797D, GLY160A, GLY160D, GLY20A, GLY20D, GLY276A, GLY276D, GLY283A, GLY283D, GLY284A, GLY284D, GLY419A, GLY419D, GLY463A, GLY463D, GLY465A, GLY465D, GLY488A, GLY488D, GLY489A, GLY489D, GLY490A, GLY490D, HIS151A, HIS151D, HIS226A, HIS226D, HIS418A, HIS418D, HIS464A, HIS464D, HIS468A, HIS468D, ILE278A, ILE278D, ILE279A, ILE279D, ILE475A, ILE475D, LEU24A, LEU24D, LEU250A, LEU250D, LEU27A, LEU27D, LEU426A, LEU426D, LEU433A, LEU433D, LEU471A, LEU471D, LYS476A, LYS476D, LYS517A, LYS517D, MET246A, MET246D, MET420A, MET420D, MET423A, MET423D, MET436A, MET436D, MET502A, MET502D, PHE113A, PHE113D, PHE512A, PHE512D, PRO19A, PRO19D, PRO422A, PRO422D, PRO430A, PRO430D, PRO434A, PRO434D, PRO513A, PRO513D, PRO516A, PRO516D, SER169D, SER437A, SER437D, SER462A, SER462D, SER477A, SER477D, THR104A, THR104D, THR22A, THR22D, THR417A, THR417D, THR427A, THR427D, THR441A, THR441D, THR493A, THR493D, THR494A, THR494D, TRP158A, TRP158D, TRP16A, TRP16D, TRP474A, TRP474D, TYR105A, TYR105D, TYR161A, TYR161D, TYR285A, TYR285D, TYR472A, TYR472D, VAL103A, VAL103D, VAL109A, VAL109D, VAL21A, VAL21D, VAL421A, VAL421D, VAL440A, VAL440D, VAL444A, VAL444D, VAL478A, VAL478D, VAL515A, VAL515D
• B-C: ALA286B, ALA286C, ALA28B, ALA28C, ALA29B, ALA29C, ALA435B, ALA435C, ALA466B, ALA466C, ALA470B, ALA470C, ALA491B, ALA491C, ALA495B, ALA495C, ALA514B, ALA514C, ARG13B, ARG13C, ARG14B, ARG14C, ARG26B, ARG26C, ARG282B, ARG282C, ARG288B, ARG288C, ARG425B, ARG425C, ARG431B, ARG431C, ARG442B, ARG442C, ARG473B, ARG473C, ARG800B, ARG800C, ASN102B, ASN102C, ASN18B, ASN18C, ASN25B, ASN25C, ASN424B, ASN424C, ASN467B, ASN467C, ASP15B, ASP15C, ASP199B, ASP199C, ASP280B, ASP280C, ASP287B, ASP287C, ASP428B, ASP428C, ASP429B, ASP429C, ASP469B, ASP469C, ASP479B, ASP479C, CYS247C, GLN23B, GLN23C, GLN245B, GLN245C, GLN445B, GLN445C, GLU170B, GLU170C, GLU243B, GLU277B, GLU277C, GLU281B, GLU281C, GLU438B, GLU438C, GLU461B, GLU461C, GLU487B, GLU487C, GLU797B, GLU797C, GLY160B, GLY160C, GLY20B, GLY20C, GLY276B, GLY276C, GLY283B, GLY283C, GLY284B, GLY284C, GLY419B, GLY419C, GLY463B, GLY463C, GLY465B, GLY465C, GLY488B, GLY488C, GLY489B, GLY489C, GLY490B, GLY490C, HIS151B, HIS151C, HIS226B, HIS226C, HIS418B, HIS418C, HIS464B, HIS464C, HIS468B, HIS468C, ILE278B, ILE278C, ILE279B, ILE279C, ILE475B, ILE475C, LEU24B, LEU24C, LEU250B, LEU250C, LEU27B, LEU27C, LEU426B, LEU426C, LEU433B, LEU433C, LEU471B, LEU471C, LYS476B, LYS476C, LYS517B, LYS517C, MET246B, MET246C, MET420B, MET420C, MET423B, MET423C, MET436B, MET436C, MET502B, MET502C, PHE113B, PHE113C, PHE512B, PHE512C, PRO19B, PRO19C, PRO422B, PRO422C, PRO430B, PRO430C, PRO434B, PRO434C, PRO513B, PRO513C, PRO516B, PRO516C, SER437B, SER437C, SER462B, SER462C, SER477B, SER477C, THR104B, THR104C, THR22B, THR22C, THR417B, THR417C, THR427B, THR427C, THR441B, THR441C, THR493B, THR493C, THR494B, THR494C, TRP158B, TRP158C, TRP16B, TRP16C, TRP474B, TRP474C, TYR105B, TYR105C, TYR161B, TYR161C, TYR285B, TYR285C, TYR472B, TYR472C, VAL103B, VAL103C, VAL109B, VAL109C, VAL21B, VAL21C, VAL421B, VAL421C, VAL440B, VAL440C, VAL444B, VAL444C, VAL478B, VAL478C, VAL515B, VAL515C
• B-D: ARG237B, ARG237D, ASN232B, ASN232D, ASN297D, ASP233B, ASP233D, ASP234B, ASP234D, PHE231B, PHE231D, PHE235B, PHE235D, SER236B, SER236D
• C-D: ALA1011C, ALA1011D, ALA555C, ALA555D, ALA691C, ALA691D, ALA723C, ALA723D, ALA821C, ALA821D, ALA827C, ALA827D, ALA831C, ALA831D, ALA833C, ALA833D, ALA839C, ALA839D, ALA841C, ALA841D, ALA873C, ALA873D, ARG1013C, ARG1013D, ARG505C, ARG505D, ARG531C, ARG531D, ARG557C, ARG557D, ARG561C, ARG561D, ARG630C, ARG630D, ARG721C, ARG721D, ARG853C, ARG853D, ARG857C, ARG857D, ARG942C, ARG942D, ASN339C, ASN339D, ASN725C, ASN725D, ASP507C, ASP507D, ASP509C, ASP509D, ASP828C, ASP828D, ASP832C, ASP832D, ASP869C, ASP869D, ASP875C, ASP875D, ASP954C, ASP954D, CYS825C, CYS825D, GLN1017C, GLN1017D, GLN510C, GLN510D, GLN554C, GLN554D, GLN558C, GLN558D, GLN563C, GLN563D, GLN693C, GLN693D, GLN824C, GLN824D, GLN843C, GLN843D, GLU1006C, GLU1006D, GLU338C, GLU338D, GLU508C, GLU508D, GLU529C, GLU529D, GLU724C, GLU724D, GLU871C, GLU871D, GLY1012C, GLY1012D, GLY340C, GLY340D, GLY528C, GLY528D, GLY692C, GLY692D, GLY846C, GLY846D, GLY940C, GLY940D, GLY953C, GLY953D, HIS1015C, HIS1015D, HIS840C, HIS840D, HIS878C, HIS878D, ILE520C, ILE520D, ILE851C, ILE851D, LEU341C, LEU341D, LEU343C, LEU343D, LEU524C, LEU524D, LEU526C, LEU526D, LEU562C, LEU562D, LEU694C, LEU694D, LEU722C, LEU722D, LEU726C, LEU726D, LEU730C, LEU730D, LEU822C, LEU822D, LEU823C, LEU823D, LEU830C, LEU830D, LEU835C, LEU835D, LEU849C, LEU849D, LYS521C, LYS521D, LYS522C, LYS522D, LYS847C, LYS847D, PHE850C, PHE850D, PHE915C, PHE915D, PHE989C, PHE989D, PRO348C, PRO348D, PRO511C, PRO511D, PRO527C, PRO527D, PRO532C, PRO532D, PRO560C, PRO560D, PRO731C, PRO731D, SER1010C, SER1010D, SER519C, SER519D, SER525C, SER525D, SER727C, SER727D, SER852C, SER852D, SER874C, SER874D, THR530C, THR530D, THR729C, THR729D, THR826C, THR826D, THR829C, THR829D, THR837C, THR837D, THR838D, THR848C, THR848D, THR855C, THR855D, THR867C, THR867D, THR876C, THR876D, THR941D, TRP518C, TRP518D, TRP523C, TRP523D, TRP695C, TRP695D, TRP842C, TRP842D, TYR1014C, TYR1014D, TYR1016C, TYR1016D, TYR559C, TYR559D, VAL506C, VAL506D, VAL728C, VAL728D, VAL868C, VAL868D, VAL870C, VAL870D, VAL872C, VAL872D