3FD8

crystal structure of an oxidoreductase from enterococcus faecalis

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 63
  • Norm. En. per Res.: -3.6187
• Hub Node: A(4)

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	-99.1654	1.8363	-420.647	-517.9761	165	21	3	16992	10	79	69
A-D	-5.355	-51.7992	-88.7557	-145.9099	61	10	1	4210	4	23	17
A-E	-48.9574	-70.0212	-109.0	-227.9787	63	7	1	5126	6	23	18
A-F	0.0	0.0	-3.8267	-3.8267	11	0	0	276	0	2	2
B-C	-10.5234	-49.7113	-88.1458	-148.3805	60	11	1	4530	3	23	16
B-D	0.0	0.0	-7.3777	-7.3777	12	1	0	363	0	3	2
B-F	-14.3206	-42.4629	-96.0961	-152.8796	62	14	1	4923	3	24	16
C-D	-119.6937	-12.1815	-423.789	-555.6643	162	30	3	16863	12	76	68
C-E	0.0	0.0	-4.83	-4.83	11	0	0	286	0	2	2
C-F	-33.5805	-53.9771	-99.6893	-187.2468	60	6	1	4650	4	25	15
D-E	-14.0579	-50.6957	-107.749	-172.5026	62	6	1	4949	5	24	19
E-F	-86.8058	-20.2079	-417.713	-524.7267	160	30	3	16957	10	79	69

Interface residues

• A-B: ALA233A, ALA233B, ARG159A, ARG159B, ARG200A, ARG200B, ARG285A, ARG285B, ASN149A, ASN149B, ASN201A, ASN201B, ASN202A, ASN202B, ASN210A, ASN210B, ASN229A, ASN229B, ASN245A, ASN245B, ASN340B, ASP156A, ASP156B, ASP193A, ASP193B, ASP198A, ASP198B, ASP213A, ASP213B, ASP215A, ASP215B, GLN194A, GLN194B, GLU147A, GLU147B, GLU150A, GLU150B, GLU152A, GLU152B, GLU203A, GLU203B, GLU206A, GLU206B, GLU281A, GLU281B, GLY146A, GLY146B, GLY161A, GLY161B, GLY219A, GLY219B, GLY243A, GLY243B, GLY246A, GLY246B, GLY289A, GLY289B, HIS154A, HIS154B, HIS217A, HIS217B, HIS230A, HIS230B, HIS242A, HIS242B, HIS347A, HIS347B, ILE148A, ILE148B, ILE199A, ILE199B, ILE240A, ILE240B, ILE249A, ILE249B, LEU145A, LEU145B, LEU216A, LEU216B, LEU222A, LEU222B, LYS221A, LYS221B, LYS223A, LYS223B, LYS225A, LYS225B, LYS227A, LYS227B, LYS293A, LYS293B, PHE144A, PHE212A, PHE212B, PHE248A, PHE248B, PRO160A, PRO160B, PRO235A, PRO235B, PRO237A, PRO237B, PRO341A, PRO341B, PRO343A, PRO343B, SER205A, SER205B, SER220A, SER220B, SER231A, SER231B, SER234A, SER234B, SER244A, SER244B, SER247A, SER247B, SER342A, SER342B, SER344A, SER344B, THR196A, THR196B, THR228A, THR228B, THR283A, THR283B, TRP291A, TRP291B, TYR157B, TYR158A, TYR158B, TYR197A, TYR197B, TYR211A, TYR211B, TYR218A, TYR218B, TYR236A, TYR236B, TYR251A, TYR251B, TYR284A, TYR284B, TYR346A, TYR346B, VAL151A, VAL151B, VAL195A, VAL195B, VAL204A, VAL204B, VAL214A, VAL214B, VAL224A, VAL224B, VAL232A, VAL232B, VAL241A, VAL241B, VAL282A, VAL282B, VAL345A, VAL345B
• A-D: ALA233A, ALA262A, ALA268A, ARG159A, ARG18A, ASN258A, ASN286D, ASN288D, ASP156A, ASP254A, ASP259A, ASP274A, ASP290D, GLN138D, GLN142D, GLN255A, GLN256A, GLN295D, GLU141D, GLU253A, GLU257A, GLU273A, GLU281D, GLY143D, GLY252A, GLY263A, GLY270A, GLY272A, GLY280D, GLY287D, GLY289D, HIS230A, ILE264A, ILE292D, ILE296D, LEU260A, LYS261A, LYS293D, LYS294D, LYS297D, PHE144D, PHE271A, PRO160A, PRO235A, PRO269A, PRO276A, PRO276D, SER162A, SER234A, SER275A, SER275D, THR298D, TRP291D, TYR157A, TYR158A, TYR278A, TYR279A, TYR279D, TYR284D, VAL139D, VAL282D
• A-E: ALA233E, ALA262E, ALA268E, ARG159E, ARG18E, ARG285A, ASN258E, ASN286A, ASN288A, ASP156E, ASP259E, ASP274E, ASP290A, GLN138A, GLN142A, GLN255E, GLN256E, GLN295A, GLU141A, GLU253E, GLU257E, GLU273E, GLU281A, GLY143A, GLY252E, GLY263E, GLY270E, GLY272E, GLY280A, GLY287A, GLY289A, ILE264E, ILE292A, ILE296A, LEU260E, LYS14E, LYS261E, LYS293A, LYS294A, LYS297A, PHE144A, PHE271E, PRO235E, PRO269E, PRO276A, PRO276E, PRO299A, SER162E, SER234E, SER275A, SER275E, THR298A, TRP291A, TYR157E, TYR158E, TYR278E, TYR279A, TYR279E, TYR284A, VAL139A, VAL282A, VAL300A, VAL300E
• A-F: ARG285A, ARG285F, ASP290F, GLY289A, GLY289F, LYS293A, LYS293F, THR283A, THR283F, TRP291A, TRP291F
• B-C: ALA233C, ALA262C, ALA268C, ARG159C, ARG18C, ASN258C, ASN286B, ASN288B, ASP156C, ASP259C, ASP274C, ASP290B, GLN138B, GLN142B, GLN255C, GLN256C, GLN295B, GLU141B, GLU253C, GLU257C, GLU273C, GLU281B, GLY143B, GLY252C, GLY263C, GLY270C, GLY272C, GLY280B, GLY287B, GLY289B, ILE264C, ILE292B, ILE296B, LEU145B, LEU260C, LYS261C, LYS293B, LYS294B, LYS297B, LYS297C, PHE144B, PHE271C, PRO235C, PRO269C, PRO276B, PRO276C, PRO299B, SER162C, SER234C, SER275B, SER275C, TRP291B, TYR157C, TYR158C, TYR278C, TYR279B, TYR279C, TYR284B, VAL139B, VAL282B
• B-D: ARG285B, ARG285D, ASP290B, ASP290D, GLY289B, GLY289D, LYS293B, LYS293D, THR283B, THR283D, TRP291B, TRP291D
• B-F: ALA233B, ALA262B, ALA268B, ARG159B, ARG18B, ARG285F, ASN258B, ASN286F, ASN288F, ASP156B, ASP254B, ASP259B, ASP274B, ASP290F, GLN138F, GLN142F, GLN255B, GLN256B, GLN295F, GLU141F, GLU253B, GLU257B, GLU273B, GLU281F, GLY143F, GLY252B, GLY263B, GLY270B, GLY272B, GLY280F, GLY287F, GLY289F, ILE264B, ILE292F, ILE296F, LEU260B, LYS261B, LYS293F, LYS294F, LYS297B, LYS297F, PHE144F, PHE271B, PRO235B, PRO269B, PRO276B, PRO276F, PRO299F, SER162B, SER234B, SER275B, SER275F, THR298F, TRP291F, TYR157B, TYR158B, TYR278B, TYR279B, TYR279F, TYR284F, VAL139F, VAL282F
• C-D: ALA233C, ALA233D, ARG159C, ARG159D, ARG200C, ARG200D, ARG285C, ARG285D, ASN149C, ASN149D, ASN201C, ASN201D, ASN202C, ASN202D, ASN210C, ASN210D, ASN229C, ASN229D, ASN245C, ASN245D, ASP156C, ASP156D, ASP193C, ASP193D, ASP198C, ASP198D, ASP213C, ASP213D, ASP215C, ASP215D, GLN194C, GLN194D, GLU147C, GLU147D, GLU150C, GLU150D, GLU152C, GLU152D, GLU203C, GLU203D, GLU206C, GLU206D, GLU281C, GLU281D, GLY146D, GLY161C, GLY161D, GLY219C, GLY219D, GLY243C, GLY243D, GLY246C, GLY246D, GLY289C, GLY289D, HIS154C, HIS154D, HIS217C, HIS217D, HIS230C, HIS230D, HIS242C, HIS242D, HIS347C, HIS347D, ILE148C, ILE148D, ILE199C, ILE199D, ILE240C, ILE240D, ILE249C, ILE249D, LEU145C, LEU145D, LEU216C, LEU216D, LEU222C, LEU222D, LYS221C, LYS221D, LYS223C, LYS223D, LYS225C, LYS225D, LYS227C, LYS227D, LYS293C, LYS293D, PHE212C, PHE212D, PHE248C, PHE248D, PRO160C, PRO160D, PRO235C, PRO235D, PRO237C, PRO237D, PRO341C, PRO341D, PRO343C, PRO343D, SER205C, SER205D, SER220C, SER220D, SER231C, SER231D, SER234C, SER234D, SER244C, SER244D, SER247C, SER247D, SER342C, SER342D, SER344C, SER344D, THR196C, THR196D, THR228C, THR228D, THR283C, THR283D, TRP291C, TRP291D, TYR157C, TYR158C, TYR158D, TYR197C, TYR197D, TYR211C, TYR211D, TYR218C, TYR218D, TYR236C, TYR236D, TYR251C, TYR251D, TYR284C, TYR284D, TYR346C, TYR346D, VAL151C, VAL151D, VAL195C, VAL195D, VAL204C, VAL204D, VAL214C, VAL214D, VAL224C, VAL224D, VAL232C, VAL232D, VAL241C, VAL241D, VAL282C, VAL282D, VAL345C, VAL345D
• C-E: ARG285C, ARG285E, ASP290C, GLY289C, GLY289E, LYS293C, LYS293E, THR283C, THR283E, TRP291C, TRP291E
• C-F: ALA233F, ALA262F, ALA268F, ARG159F, ARG18F, ASN258F, ASN286C, ASN288C, ASP156F, ASP259F, ASP274F, ASP290C, GLN138C, GLN142C, GLN255F, GLN256F, GLN295C, GLU141C, GLU253F, GLU257F, GLU273F, GLU281C, GLY143C, GLY252F, GLY263F, GLY270F, GLY272F, GLY280C, GLY287C, GLY289C, ILE264F, ILE292C, ILE296C, LEU260F, LYS261F, LYS293C, LYS294C, LYS297C, LYS297F, PHE144C, PHE271F, PRO235F, PRO269F, PRO276C, PRO276F, PRO299C, SER162F, SER234F, SER275C, SER275F, THR298C, TRP291C, TYR157F, TYR158F, TYR278F, TYR279C, TYR279F, TYR284C, VAL139C, VAL282C
• D-E: ALA233D, ALA262D, ALA268D, ARG159D, ARG18D, ASN258D, ASN286E, ASN288E, ASP156D, ASP254D, ASP259D, ASP274D, ASP290E, GLN138E, GLN142E, GLN255D, GLN256D, GLN295E, GLU141E, GLU253D, GLU257D, GLU273D, GLU281E, GLY143E, GLY252D, GLY263D, GLY270D, GLY272D, GLY280E, GLY287E, GLY289E, ILE264D, ILE292E, ILE296E, LEU260D, LYS261D, LYS293E, LYS294E, LYS297D, LYS297E, PHE144E, PHE271D, PRO235D, PRO269D, PRO276D, PRO276E, PRO299E, SER162D, SER234D, SER275D, SER275E, THR298E, TRP291E, TYR157D, TYR158D, TYR278D, TYR279D, TYR279E, TYR284E, VAL139E, VAL282E, VAL300D
• E-F: ALA207E, ALA207F, ALA233E, ALA233F, ARG159E, ARG159F, ARG200E, ARG200F, ARG285E, ARG285F, ASN149E, ASN149F, ASN201E, ASN201F, ASN202E, ASN202F, ASN210E, ASN229E, ASN229F, ASN245E, ASN245F, ASP156E, ASP156F, ASP193E, ASP193F, ASP198E, ASP198F, ASP213E, ASP213F, ASP215E, ASP215F, GLN194E, GLN194F, GLU147E, GLU147F, GLU150E, GLU150F, GLU152E, GLU152F, GLU203E, GLU203F, GLU206E, GLU206F, GLU281E, GLU281F, GLY161E, GLY161F, GLY219E, GLY219F, GLY243E, GLY243F, GLY246E, GLY246F, GLY289E, HIS154E, HIS154F, HIS217E, HIS217F, HIS230E, HIS230F, HIS242E, HIS242F, HIS347E, HIS347F, ILE148E, ILE148F, ILE199E, ILE199F, ILE240E, ILE240F, ILE249E, ILE249F, LEU145E, LEU145F, LEU216E, LEU216F, LEU222E, LEU222F, LYS221E, LYS221F, LYS223E, LYS223F, LYS225E, LYS225F, LYS227E, LYS227F, LYS293E, LYS293F, PHE212E, PHE212F, PHE248E, PHE248F, PRO160E, PRO160F, PRO235E, PRO235F, PRO237E, PRO237F, PRO341E, PRO341F, PRO343E, PRO343F, SER205E, SER205F, SER220E, SER220F, SER231E, SER231F, SER234E, SER234F, SER244E, SER244F, SER247E, SER247F, SER342E, SER342F, SER344E, SER344F, THR196E, THR196F, THR228E, THR228F, THR283E, THR283F, TRP291E, TRP291F, TYR158E, TYR158F, TYR197E, TYR197F, TYR211E, TYR211F, TYR218E, TYR218F, TYR236E, TYR236F, TYR251E, TYR251F, TYR284E, TYR284F, TYR346E, TYR346F, VAL151E, VAL151F, VAL195E, VAL195F, VAL204E, VAL204F, VAL214E, VAL214F, VAL224E, VAL224F, VAL232E, VAL232F, VAL241E, VAL241F, VAL282E, VAL282F, VAL345E, VAL345F