3F4L

crystal structure of a probable oxidoreductase yhhx in triclinic form. northeast structural genomics target er647

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-F
  • Int. Res.: 164
  • Norm. En. per Res.: -4.6142
• 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	0.0	1.4306	-2.3202	-0.8897	12	0	0	228	0	16	11
A-D	0.0	0.0	-0.0599	-0.0599	2	0	0	21	0	5	5
A-F	-165.8604	-156.7533	-434.119	-756.7327	164	23	8	18771	11	77	94
B-C	-140.4309	-141.1467	-424.111	-705.6886	165	30	8	18781	14	77	95
B-D	0.0	0.4123	-4.2881	-3.8758	14	0	0	250	0	14	15
D-E	-144.7415	-131.5123	-423.014	-699.2678	165	28	8	18340	14	77	94

Interface residues

• A-B: GLN44B, GLU289A, GLU59B, HIS50B, HIS52B, ILE51B, LYS136A, LYS142A, LYS292A, PHE53B, SER49B, TYR48B
• A-D: LYS292D, SER49A
• A-F: ALA194A, ALA194F, ALA212A, ALA212F, ALA221A, ALA221F, ALA336A, ALA336F, ARG157A, ARG198A, ARG198F, ARG201A, ARG201F, ARG288A, ARG288F, ASN202A, ASN202F, ASN281A, ASN281F, ASP154A, ASP154F, ASP191A, ASP191F, ASP196A, ASP196F, ASP208A, ASP208F, ASP218A, ASP218F, ASP232A, ASP232F, GLN213A, GLN213F, GLN335A, GLN335F, GLU145A, GLU145F, GLU148A, GLU148F, GLU150A, GLU150F, GLU211A, GLU211F, GLU278A, GLU278F, GLU289A, GLU289F, GLY144F, GLY217A, GLY217F, GLY240A, GLY240F, GLY243A, GLY243F, GLY284A, GLY284F, HIS152A, HIS152F, HIS192A, HIS192F, HIS227A, HIS227F, HIS239A, HIS239F, ILE146A, ILE146F, ILE197A, ILE197F, ILE222A, ILE222F, ILE231A, ILE231F, ILE237A, ILE237F, ILE246A, ILE246F, LEU143A, LEU143F, LEU200A, LEU200F, LEU214A, LEU214F, LEU219A, LEU219F, LEU228A, LEU228F, LEU277A, LEU277F, LYS203A, LYS203F, LYS220A, LYS220F, LYS224A, LYS224F, LYS230A, LYS230F, LYS241A, LYS241F, LYS242A, LYS242F, PHE210A, PHE210F, PHE215A, PHE215F, PHE245A, PHE245F, PRO158A, PRO158F, PRO234A, PRO234F, PRO338A, PRO338F, SER199A, SER199F, SER226A, SER226F, SER244A, SER244F, SER337A, SER337F, SER339A, SER339F, THR209A, THR209F, THR225A, THR225F, THR286A, THR286F, THR340A, THR340F, THR342A, THR342F, TYR156A, TYR156F, TYR195A, TYR195F, TYR216A, TYR216F, TYR233A, TYR233F, TYR248A, TYR248F, TYR279A, TYR279F, VAL147A, VAL147F, VAL149A, VAL149F, VAL193A, VAL193F, VAL229A, VAL229F, VAL238A, VAL238F, VAL276A, VAL276F, VAL280A, VAL280F, VAL285A, VAL285F, VAL287A, VAL287F, VAL341A, VAL341F
• B-C: ALA194B, ALA194C, ALA212B, ALA212C, ALA221B, ALA221C, ALA336B, ALA336C, ARG157B, ARG198B, ARG198C, ARG201B, ARG201C, ARG288B, ARG288C, ASN202B, ASN202C, ASN281B, ASN281C, ASP154B, ASP154C, ASP191B, ASP191C, ASP196B, ASP196C, ASP208B, ASP208C, ASP218B, ASP218C, ASP232B, ASP232C, GLN213B, GLN213C, GLN335B, GLN335C, GLU145B, GLU145C, GLU148B, GLU148C, GLU150B, GLU150C, GLU211B, GLU211C, GLU278B, GLU278C, GLU289B, GLU289C, GLY217B, GLY217C, GLY240B, GLY240C, GLY243B, GLY243C, GLY284B, GLY284C, HIS152B, HIS152C, HIS192B, HIS192C, HIS227B, HIS227C, HIS239B, HIS239C, ILE146B, ILE146C, ILE197B, ILE197C, ILE222B, ILE222C, ILE231B, ILE231C, ILE237B, ILE237C, ILE246B, ILE246C, LEU143B, LEU143C, LEU200B, LEU200C, LEU214B, LEU214C, LEU219B, LEU219C, LEU228B, LEU228C, LEU277B, LEU277C, LYS203B, LYS203C, LYS220B, LYS220C, LYS224B, LYS224C, LYS230B, LYS230C, LYS241B, LYS241C, LYS242B, LYS242C, LYS247B, PHE210B, PHE210C, PHE215B, PHE215C, PHE245B, PHE245C, PRO158B, PRO158C, PRO234B, PRO234C, PRO338B, PRO338C, SER199B, SER199C, SER226B, SER226C, SER244B, SER244C, SER337B, SER337C, SER339B, SER339C, THR209B, THR209C, THR225B, THR225C, THR286B, THR286C, THR340B, THR340C, THR342B, THR342C, TYR156B, TYR156C, TYR195B, TYR195C, TYR216B, TYR216C, TYR233B, TYR233C, TYR248B, TYR248C, TYR279B, TYR279C, VAL147B, VAL147C, VAL149B, VAL149C, VAL193B, VAL193C, VAL223C, VAL229B, VAL229C, VAL238B, VAL238C, VAL276B, VAL276C, VAL280B, VAL280C, VAL285B, VAL285C, VAL287B, VAL287C, VAL341B, VAL341C
• B-D: GLN44D, GLU289B, GLU43D, GLU59D, HIS33D, HIS50D, HIS52D, ILE51D, LYS136B, LYS142B, LYS292B, PHE53D, SER49D, TYR48D
• D-E: ALA194D, ALA194E, ALA212D, ALA212E, ALA221D, ALA221E, ALA336D, ALA336E, ARG198D, ARG198E, ARG201D, ARG201E, ARG288D, ARG288E, ASN202D, ASN202E, ASN281D, ASN281E, ASP154D, ASP154E, ASP191D, ASP191E, ASP196D, ASP196E, ASP208D, ASP208E, ASP218D, ASP218E, ASP232D, ASP232E, GLN213D, GLN213E, GLN335E, GLU145D, GLU145E, GLU148D, GLU148E, GLU150D, GLU150E, GLU211D, GLU211E, GLU278D, GLU278E, GLU289D, GLU289E, GLY144D, GLY144E, GLY217D, GLY217E, GLY240D, GLY240E, GLY243D, GLY243E, GLY284D, HIS152D, HIS152E, HIS192D, HIS192E, HIS227D, HIS227E, HIS239D, HIS239E, ILE146D, ILE146E, ILE197D, ILE197E, ILE222D, ILE222E, ILE231D, ILE231E, ILE237D, ILE237E, ILE246D, ILE246E, LEU143D, LEU143E, LEU200D, LEU200E, LEU214D, LEU214E, LEU219D, LEU219E, LEU228D, LEU228E, LEU277D, LEU277E, LYS142D, LYS142E, LYS203D, LYS203E, LYS220D, LYS220E, LYS224D, LYS224E, LYS230D, LYS230E, LYS241D, LYS241E, LYS242D, LYS242E, LYS247E, PHE210D, PHE210E, PHE215D, PHE215E, PHE245D, PHE245E, PRO158D, PRO158E, PRO234D, PRO234E, PRO338D, PRO338E, SER199D, SER199E, SER226D, SER226E, SER244D, SER244E, SER337D, SER337E, SER339D, SER339E, THR209D, THR209E, THR225D, THR225E, THR286D, THR286E, THR340D, THR340E, THR342D, THR342E, TYR156D, TYR156E, TYR195D, TYR195E, TYR216D, TYR216E, TYR233D, TYR233E, TYR248D, TYR248E, TYR279D, TYR279E, VAL147D, VAL147E, VAL149D, VAL149E, VAL193D, VAL193E, VAL229D, VAL229E, VAL238D, VAL238E, VAL276D, VAL276E, VAL280D, VAL280E, VAL285D, VAL285E, VAL287D, VAL287E, VAL341D, VAL341E