3PNQ

crystal structure of e.coli dha kinase dhak (h56n) complex with dha

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 148
  • Norm. En. per Res.: -1.9742
• Hub Node: A(2)

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	-35.9093	82.8377	-328.494	-281.5656	153	14	12	13407	0	19	31
A-C	0.0	85.9683	-112.361	-26.3927	73	5	4	5164	3	25	20
B-C	0.0	0.0	-4.3489	-4.3489	11	0	0	144	0	0	0
B-D	0.0	0.0	-9.235	-9.235	9	1	0	202	0	0	0
C-D	-28.1931	77.4652	-341.453	-292.1809	148	10	11	13345	0	19	32

Interface residues

• A-B: ALA17A, ALA17B, ALA20A, ALA20B, ALA22A, ALA22B, ALA280A, ALA287A, ALA287B, ALA318A, ALA318B, ALA351A, ALA351B, ARG299A, ARG299B, ARG303A, ARG303B, ARG313A, ARG313B, ASN284A, ASN284B, ASN298A, ASN298B, ASN314A, ASN314B, ASN353A, ASN353B, ASN56A, ASN56B, ASP10A, ASP10A5, ASP10B, ASP13A, ASP13B, ASP232A, ASP232B, ASP324A, ASP324B, CB9.4093218.65263, CYS194B, CYS61A, CYS61B, GLN15A, GLN15B, GLN305A, GLN305B, GLU14A, GLU14B, GLU292A, GLU292B, GLU312A, GLU312B, GLU57A, GLU57B, GLY18A, GLY18B, GLY286A, GLY286B, GLY295A, GLY295B, GLY317A, GLY317B, GLY355A, GLY355B, GLY55A, GLY55B, GLY62A, GLY62B, HIS23A, HIS23B, HIS348A, HIS348B, ILE311A, ILE311B, ILE316A, ILE316B, ILE77A, ILE77B, LEU12A, LEU12B, LEU16A, LEU16B, LEU19A, LEU19B, LEU231A, LEU231B, LEU26A, LEU26B, LEU285A, LEU285B, LEU290A, LEU290B, LEU293A, LEU293B, LEU300A, LEU300B, LEU315A, LEU315B, LEU323A, LEU323B, LEU352A, LEU352B, LYS21A, LYS21B, LYS356A, LYS356B, MET325A, MET325B, MET59A, MET59B, PRO24A, PRO24B, PRO289A, PRO289B, PRO350A, PRO350B, PRO58A, PRO58B, SER230A, SER230B, SER291A, SER291B, SER322A, SER322B, SER54A, SER54B, THR288A, THR288B, THR301A, THR301B, THR302A, THR302B, THR321A, THR321B, THR326A, THR326B, TRP354A, TRP354B, TYR294A, TYR294B, TYR297A, TYR297B, TYR319A, TYR319B, TYR63A, VAL11A, VAL11B, VAL282A, VAL282B, VAL296A, VAL296B, VAL347A, VAL347B
• A-C: ALA116A, ALA307C, ARG226C, ARG253A, ARG299C, ARG303C, ASN112A, ASN245C, ASP122A, ASP224C, ASP232C, ASP236C, ASP240C, ASP31A, ASP84A, CYS304C, GLN233C, GLN259A, GLN270C, GLN273C, GLN305C, GLN306C, GLU114A, GLU118A, GLU237C, GLU88A, GLY108A, GLY124A, GLY246C, GLY260A, GLY275C, GLY308C, HIS121A, HIS249C, ILE110A, ILE187C, ILE223C, ILE86A, LEU111A, LEU119A, LEU120A, LEU242C, LEU243C, LEU272C, LEU309C, LYS139C, LYS85A, MET211C, MET238C, PHE213C, PHE239C, PHE87A, PRO227C, PRO271C, PRO32A, PRO83A, SER123A, SER229C, SER247C, SER261A, SER274C, THR107A, THR115A, THR117A, THR234C, THR241C, THR79A, THR82A, TRP255A, TRP262A, TYR248C, VAL235C, VAL244C
• B-C: ALA318C, ALA351C, GLU57C, GLY62C, LEU352C, PHE2B, PRO350C, PRO58C, THR321C, TYR319C, TYR63C
• B-D: ALA318D, ASN284D, GLY317D, ILE316D, LEU290D, LEU293D, PHE2B, TYR294D, TYR319D
• C-D: ALA17C, ALA17D, ALA20C, ALA20D, ALA22C, ALA22D, ALA280C, ALA287C, ALA287D, ALA318C, ALA318D, ALA351C, ALA351D, ARG299C, ARG299D, ARG303C, ARG313C, ARG313D, ASN284C, ASN284D, ASN298C, ASN298D, ASN314C, ASN314D, ASN353C, ASN353D, ASN56C, ASN56D, ASP10C, ASP10D, ASP13C, ASP13D, ASP232C, ASP232D, ASP324C, ASP324D, CYS61C, CYS61D, GLN15C, GLN15D, GLN305C, GLN305D, GLU14C, GLU14D, GLU292C, GLU292D, GLU312C, GLU312D, GLU57C, GLU57D, GLY18C, GLY18D, GLY286C, GLY286D, GLY295C, GLY295D, GLY317C, GLY317D, GLY355C, GLY355D, GLY55C, GLY55D, GLY62C, GLY62D, HIS23C, HIS23D, HIS348C, HIS348D, ILE311C, ILE311D, ILE316C, ILE316D, ILE77C, ILE77D, LEU12C, LEU12D, LEU16C, LEU16D, LEU19C, LEU19D, LEU231C, LEU231D, LEU26C, LEU26D, LEU285C, LEU290C, LEU290D, LEU293C, LEU293D, LEU300C, LEU300D, LEU315C, LEU315D, LEU323C, LEU323D, LEU352C, LEU352D, LYS21C, LYS21D, LYS356C, LYS356D, MET325C, MET325D, MET59C, MET59D, PRO24C, PRO24D, PRO289C, PRO289D, PRO350C, PRO350D, PRO58C, PRO58D, SER230C, SER230D, SER291C, SER291D, SER322C, SER322D, SER54C, SER54D, THR288C, THR288D, THR301C, THR301D, THR302C, THR302D, THR321C, THR321D, THR326C, THR326D, TRP354C, TRP354D, TYR294C, TYR294D, TYR297C, TYR297D, TYR319C, TYR319D, TYR63D, VAL11C, VAL11D, VAL282C, VAL282D, VAL296C, VAL296D, VAL347C, VAL347D