1V02

crystal structure of the sorghum bicolor dhurrinase 1

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 103
  • Norm. En. per Res.: -2.5153
• 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	-6.4641	1.5645	-254.179	-259.0786	103	7	5	10471	5	29	31
A-C	-15.0529	4.8442	-30.0508	-40.2595	38	2	0	1548	0	14	15
A-E	-2.9162	-24.4964	-57.513	-84.9256	45	1	0	2555	3	15	18
B-C	0.0	0.0	-4.3417	-4.3417	14	0	0	416	0	0	1
B-E	-11.7066	0.0	-92.7034	-104.41	63	3	0	3775	0	15	13
B-F	-6.1757	-31.5098	-55.9135	-93.599	49	6	0	2821	3	18	18
C-D	-3.5316	28.9843	-248.482	-223.0293	99	5	5	10178	4	29	30
E-F	-7.0626	29.4709	-253.998	-231.5896	104	5	5	10257	4	30	32

Interface residues

• A-B: ALA275A, ALA275B, ALA304A, ALA304B, ALA354A, ALA354B, ALA356A, ALA356B, ARG278A, ARG278B, ARG293A, ARG293B, ARG301A, ARG301B, ARG305A, ARG305B, ARG307A, ARG307B, ASN268A, ASN268B, ASN344A, ASN344B, ASN345A, ASN345B, ASN393A, ASN393B, ASP281A, ASP281B, ASP295A, ASP295B, ASP306A, ASP306B, ASP340A, ASP340B, ASP352A, ASP352B, ASP353A, ASP353B, GLN273A, GLN273B, GLN274A, GLN274B, GLN316B, GLU277A, GLU277B, GLU289A, GLU289B, GLY294A, GLY294B, GLY396A, GLY396B, HIS338A, HIS338B, ILE339A, ILE339B, LEU271A, LEU271B, LEU288A, LEU288B, LEU341A, LEU341B, LYS394A, LYS394B, MET300A, MET300B, PHE270A, PHE270B, PHE298A, PHE298B, PRO290A, PRO290B, PRO297A, PRO297B, PRO343A, PRO343B, PRO347A, PRO347B, SER299A, SER299B, SER303A, SER303B, SER342A, SER342B, SER346A, SER346B, THR269A, THR269B, THR390A, THR390B, TYR296A, TYR296B, TYR310A, TYR310B, TYR355A, TYR355B, TYR395A, TYR395B, VAL292A, VAL292B, VAL302A, VAL302B, VAL308A, VAL308B
• A-C: ALA149C, ALA153C, ALA215C, ARG161A, ARG234A, ARG307A, ASN60C, ASP152C, ASP159A, ASP306A, GLN148C, GLN316A, GLU160A, GLU313A, GLU315A, GLU63C, GLY155C, GLY211C, HIS56C, HIS59C, ILE227A, LEU150C, LYS312A, LYS314A, PHE311A, PHE57C, PHE61C, PRO210C, PRO217C, PRO309A, PRO62C, SER209C, THR218C, TRP64C, TYR154C, TYR310A, VAL151C, VAL216C
• A-E: ALA250A, ARG21E, ARG22E, ARG253A, ARG293A, ARG448A, ASN393A, ASN397A, ASP23E, ASP295A, ASP324A, ASP442E, ASP446A, GLU18E, GLU289A, GLY249A, GLY294A, GLY321A, GLY396A, GLY444A, GLY496E, ILE19E, ILE254A, ILE326A, LEU288A, LYS248A, LYS392A, LYS394A, LYS438E, MET325A, MET391A, PHE25E, PRO16E, PRO27E, PRO398A, PRO399A, SER15E, SER322A, TRP17E, TRP24E, TYR323A, TYR395A, VAL291A, VAL292A, VAL320A
• B-C: ALA215C, ASN344B, ASN345B, CYS214C, GLU63C, GLY211C, PRO210C, PRO217C, PRO343B, SER213C, SER342B, SER346B, TRP64C, VAL212C
• B-E: ALA367B, ALA367E, ARG13B, ARG13E, ARG432B, ARG432E, ASN268B, ASN268E, ASN366B, ASN366E, ASP272B, ASP272E, ASP364B, ASP364E, GLN273B, GLN273E, GLN274B, GLU18B, GLU18E, GLY362B, GLY362E, GLY365B, GLY365E, GLY369B, GLY369E, ILE368B, ILE368E, LEU14B, LEU14E, LEU271B, LEU271E, LYS361B, LYS361E, MET379B, MET379E, PHE270B, PHE270E, PHE335B, PHE335E, PRO16B, PRO16E, PRO363B, PRO363E, PRO370B, PRO370E, PRO371B, PRO371E, PRO381B, PRO381E, SER15B, SER15E, THR267B, THR267E, THR269B, THR269E, THR360B, THR360E, TRP17B, TRP17E, TYR266B, TYR266E, TYR380B, TYR380E
• B-F: ALA250F, ARG21B, ARG22B, ARG253F, ARG293F, ARG448F, ASN393F, ASN397F, ASP23B, ASP251F, ASP295F, ASP324F, ASP442B, ASP446F, GLN439B, GLU18B, GLU289F, GLU493B, GLY249F, GLY294F, GLY321F, GLY396F, GLY444F, GLY496B, ILE19B, ILE326F, LEU288F, LYS248F, LYS392F, LYS394F, LYS438B, MET325F, MET391F, PHE25B, PRO16B, PRO20B, PRO27B, PRO398F, PRO399F, SER15B, SER28F, SER322F, TRP17B, TRP24B, TYR323F, TYR395F, VAL291F, VAL292F, VAL320F
• C-D: ALA275C, ALA275D, ALA304C, ALA304D, ALA354C, ALA354D, ALA356C, ALA356D, ARG278C, ARG278D, ARG293C, ARG293D, ARG301C, ARG301D, ARG305C, ARG305D, ARG307C, ARG307D, ASN268C, ASN268D, ASN344C, ASN344D, ASN345C, ASN345D, ASN393C, ASN393D, ASP281C, ASP281D, ASP295C, ASP295D, ASP306C, ASP306D, ASP340C, ASP340D, ASP352C, ASP352D, ASP353C, ASP353D, GLN273C, GLN273D, GLN274C, GLN274D, GLU277C, GLU277D, GLU289C, GLU289D, GLY294D, GLY396C, GLY396D, HIS338C, HIS338D, ILE339C, ILE339D, LEU271C, LEU271D, LEU288C, LEU288D, LEU341C, LEU341D, LYS394C, LYS394D, MET300C, MET300D, PHE270C, PHE270D, PHE298C, PHE298D, PRO297C, PRO297D, PRO343C, PRO343D, PRO347C, PRO347D, SER299C, SER299D, SER303C, SER303D, SER342C, SER342D, SER346C, SER346D, THR269C, THR269D, THR390C, THR390D, TYR296C, TYR296D, TYR310C, TYR310D, TYR355C, TYR355D, TYR395C, TYR395D, VAL292C, VAL292D, VAL302C, VAL302D, VAL308C, VAL308D
• E-F: ALA275E, ALA275F, ALA304E, ALA304F, ALA354E, ALA354F, ALA356E, ALA356F, ARG278E, ARG278F, ARG293E, ARG293F, ARG301E, ARG301F, ARG305E, ARG305F, ARG307E, ARG307F, ASN268E, ASN268F, ASN344E, ASN344F, ASN345E, ASN345F, ASN393E, ASN393F, ASP281E, ASP281F, ASP295E, ASP295F, ASP306E, ASP306F, ASP340E, ASP340F, ASP352E, ASP352F, ASP353E, ASP353F, GLN273E, GLN273F, GLN274E, GLN274F, GLN316E, GLN316F, GLU277E, GLU277F, GLU289E, GLU289F, GLY294E, GLY294F, GLY396E, GLY396F, HIS338E, HIS338F, ILE339E, ILE339F, LEU271E, LEU271F, LEU288E, LEU288F, LEU341E, LEU341F, LYS394E, LYS394F, MET300E, MET300F, PHE270E, PHE270F, PHE298E, PHE298F, PRO290E, PRO290F, PRO297E, PRO297F, PRO343E, PRO343F, PRO347E, PRO347F, SER299E, SER299F, SER303E, SER303F, SER342E, SER342F, SER346E, SER346F, THR269E, THR269F, THR390E, THR390F, TYR296E, TYR296F, TYR310E, TYR310F, TYR355E, TYR355F, TYR395E, TYR395F, VAL292E, VAL292F, VAL302E, VAL302F, VAL308E, VAL308F